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Indoles and derivatives

Aromatic bicyclic organic compounds that consists of a benzene ring fused to a pyrrole ring with formula: C₈H₇N.

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Carbazole, 96%

CAS: 86-74-8 Molecular Formula: C12H9N Molecular Weight (g/mol): 167.21 MDL Number: MFCD00004960 InChI Key: UJOBWOGCFQCDNV-UHFFFAOYSA-N Synonym: carbazole,dibenzopyrrole,diphenylenimine,9-azafluorene,diphenylenimide,diphenyleneimine,dibenzo b,d pyrrole,usaf ek-600,unii-0p2197hhhn PubChem CID: 6854 ChEBI: CHEBI:27543 IUPAC Name: 9H-carbazole SMILES: N1C2=C(C=CC=C2)C2=C1C=CC=C2

PubChem CID 6854
CAS 86-74-8
Molecular Weight (g/mol) 167.21
ChEBI CHEBI:27543
MDL Number MFCD00004960
SMILES N1C2=C(C=CC=C2)C2=C1C=CC=C2
Synonym carbazole,dibenzopyrrole,diphenylenimine,9-azafluorene,diphenylenimide,diphenyleneimine,dibenzo b,d pyrrole,usaf ek-600,unii-0p2197hhhn
IUPAC Name 9H-carbazole
InChI Key UJOBWOGCFQCDNV-UHFFFAOYSA-N
Molecular Formula C12H9N
2
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1H-Indole-3-acetic acid, 98%

CAS: 87-51-4 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00005636 InChI Key: SEOVTRFCIGRIMH-UHFFFAOYSA-N Synonym: indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a PubChem CID: 802 ChEBI: CHEBI:16411 IUPAC Name: 2-(1H-indol-3-yl)acetic acid SMILES: OC(=O)CC1=CNC2=CC=CC=C12

PubChem CID 802
CAS 87-51-4
Molecular Weight (g/mol) 175.19
ChEBI CHEBI:16411
MDL Number MFCD00005636
SMILES OC(=O)CC1=CNC2=CC=CC=C12
Synonym indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a
IUPAC Name 2-(1H-indol-3-yl)acetic acid
InChI Key SEOVTRFCIGRIMH-UHFFFAOYSA-N
Molecular Formula C10H9NO2
3
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Thermo Scientific Chemicals Melatonine, 99%

CAS: 73-31-4 Molecular Formula: C13H16N2O2 Molecular Weight (g/mol): 232.28 MDL Number: MFCD00005655 InChI Key: DRLFMBDRBRZALE-UHFFFAOYSA-N Synonym: melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine PubChem CID: 896 ChEBI: CHEBI:16796 IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC

PubChem CID 896
CAS 73-31-4
Molecular Weight (g/mol) 232.28
ChEBI CHEBI:16796
MDL Number MFCD00005655
SMILES CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
Synonym melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine
IUPAC Name N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
InChI Key DRLFMBDRBRZALE-UHFFFAOYSA-N
Molecular Formula C13H16N2O2
4

Thermo Scientific Chemicals Yohimbine hydrochloride, 99%

CAS: 65-19-0 Molecular Formula: C21H27ClN2O3 Molecular Weight (g/mol): 390.91 MDL Number: MFCD00012674 InChI Key: PIPZGJSEDRMUAW-VJDCAHTMSA-N Synonym: yohimbine hydrochloride,antagonil,yohimbe,yohimbine hcl,aphrodine hydrochloride,yohimbine monohydrochloride,unii-nb2e1yp49f,yohimbin hydrochloride usp,nb2e1yp49f PubChem CID: 6169 IUPAC Name: methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride SMILES: [H+].[Cl-].COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12

PubChem CID 6169
CAS 65-19-0
Molecular Weight (g/mol) 390.91
MDL Number MFCD00012674
SMILES [H+].[Cl-].COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12
Synonym yohimbine hydrochloride,antagonil,yohimbe,yohimbine hcl,aphrodine hydrochloride,yohimbine monohydrochloride,unii-nb2e1yp49f,yohimbin hydrochloride usp,nb2e1yp49f
IUPAC Name methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
InChI Key PIPZGJSEDRMUAW-VJDCAHTMSA-N
Molecular Formula C21H27ClN2O3
5

Indole-3-carbinol, 97%

CAS: 700-06-1 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00005632 InChI Key: IVYPNXXAYMYVSP-UHFFFAOYSA-N Synonym: indole-3-carbinol,3-indolemethanol,1h-indol-3-yl methanol,indole-3-methanol,1h-indole-3-methanol,3-hydroxymethylindole,3-indolylcarbinol,indinol,3-indole methanol,indole 3 carbinol PubChem CID: 3712 ChEBI: CHEBI:24814 IUPAC Name: 1H-indol-3-ylmethanol SMILES: C1=CC=C2C(=C1)C(=CN2)CO

PubChem CID 3712
CAS 700-06-1
Molecular Weight (g/mol) 147.18
ChEBI CHEBI:24814
MDL Number MFCD00005632
SMILES C1=CC=C2C(=C1)C(=CN2)CO
Synonym indole-3-carbinol,3-indolemethanol,1h-indol-3-yl methanol,indole-3-methanol,1h-indole-3-methanol,3-hydroxymethylindole,3-indolylcarbinol,indinol,3-indole methanol,indole 3 carbinol
IUPAC Name 1H-indol-3-ylmethanol
InChI Key IVYPNXXAYMYVSP-UHFFFAOYSA-N
Molecular Formula C9H9NO
6

2-Phenylindole, 98%, Thermo Scientific Chemicals

CAS: 948-65-2 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.25 MDL Number: MFCD00005608 InChI Key: KLLLJCACIRKBDT-UHFFFAOYSA-N Synonym: 2-phenylindole,1h-indole, 2-phenyl,indole, 2-phenyl,stabilizer i,alpha-phenylindole,2-phenyl indole,phenylindole,unii-mqd44hv3p1,.alpha.-phenylindole,mqd44hv3p1 PubChem CID: 13698 IUPAC Name: 2-phenyl-1H-indole SMILES: C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2

PubChem CID 13698
CAS 948-65-2
Molecular Weight (g/mol) 193.25
MDL Number MFCD00005608
SMILES C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2
Synonym 2-phenylindole,1h-indole, 2-phenyl,indole, 2-phenyl,stabilizer i,alpha-phenylindole,2-phenyl indole,phenylindole,unii-mqd44hv3p1,.alpha.-phenylindole,mqd44hv3p1
IUPAC Name 2-phenyl-1H-indole
InChI Key KLLLJCACIRKBDT-UHFFFAOYSA-N
Molecular Formula C14H11N
8
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Tryptophol, 97%

CAS: 526-55-6 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.20 MDL Number: MFCD00005659 InChI Key: MBBOMCVGYCRMEA-UHFFFAOYSA-N Synonym: tryptophol,3-2-hydroxyethyl indole,indole-3-ethanol,1h-indole-3-ethanol,2-1h-indol-3-yl ethanol,3-indoleethanol,indoleethanol,3-indolylethanol,indole ethanol,2-3-indolyl ethanol PubChem CID: 10685 ChEBI: CHEBI:17890 SMILES: OCCC1=CNC2=CC=CC=C12

PubChem CID 10685
CAS 526-55-6
Molecular Weight (g/mol) 161.20
ChEBI CHEBI:17890
MDL Number MFCD00005659
SMILES OCCC1=CNC2=CC=CC=C12
Synonym tryptophol,3-2-hydroxyethyl indole,indole-3-ethanol,1h-indole-3-ethanol,2-1h-indol-3-yl ethanol,3-indoleethanol,indoleethanol,3-indolylethanol,indole ethanol,2-3-indolyl ethanol
InChI Key MBBOMCVGYCRMEA-UHFFFAOYSA-N
Molecular Formula C10H11NO
9

Tryptamine, 98%

CAS: 61-54-1 Molecular Formula: C10H12N2 Molecular Weight (g/mol): 160.22 MDL Number: MFCD00005661 InChI Key: APJYDQYYACXCRM-UHFFFAOYSA-N Synonym: tryptamine,2-1h-indol-3-yl ethanamine,3-2-aminoethyl indole,1h-indole-3-ethanamine,2-3-indolyl ethylamine,indol-3-ethylamine,indole, 3-2-aminoethyl,2-indol-3-yl ethylamine,2-1h-indol-3-yl ethan-1-amine,tryptamin PubChem CID: 1150 ChEBI: CHEBI:16765 IUPAC Name: 2-(1H-indol-3-yl)ethanamine SMILES: NCCC1=CNC2=CC=CC=C12

PubChem CID 1150
CAS 61-54-1
Molecular Weight (g/mol) 160.22
ChEBI CHEBI:16765
MDL Number MFCD00005661
SMILES NCCC1=CNC2=CC=CC=C12
Synonym tryptamine,2-1h-indol-3-yl ethanamine,3-2-aminoethyl indole,1h-indole-3-ethanamine,2-3-indolyl ethylamine,indol-3-ethylamine,indole, 3-2-aminoethyl,2-indol-3-yl ethylamine,2-1h-indol-3-yl ethan-1-amine,tryptamin
IUPAC Name 2-(1H-indol-3-yl)ethanamine
InChI Key APJYDQYYACXCRM-UHFFFAOYSA-N
Molecular Formula C10H12N2
10

3-Indolebutyric acid, 98%

CAS: 133-32-4 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.24 MDL Number: MFCD00005664 InChI Key: JTEDVYBZBROSJT-UHFFFAOYSA-N Synonym: indole-3-butyric acid,3-indolebutyric acid,4-1h-indol-3-yl butanoic acid,indolebutyric acid,hormodin,1h-indole-3-butanoic acid,seradix,indole-3-butanoic acid,jiffy grow,4-indol-3-yl butyric acid PubChem CID: 8617 ChEBI: CHEBI:33070 IUPAC Name: 4-(1H-indol-3-yl)butanoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O

PubChem CID 8617
CAS 133-32-4
Molecular Weight (g/mol) 203.24
ChEBI CHEBI:33070
MDL Number MFCD00005664
SMILES C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
Synonym indole-3-butyric acid,3-indolebutyric acid,4-1h-indol-3-yl butanoic acid,indolebutyric acid,hormodin,1h-indole-3-butanoic acid,seradix,indole-3-butanoic acid,jiffy grow,4-indol-3-yl butyric acid
IUPAC Name 4-(1H-indol-3-yl)butanoic acid
InChI Key JTEDVYBZBROSJT-UHFFFAOYSA-N
Molecular Formula C12H13NO2
11

5-Hydroxyindole, 97%

CAS: 1953-54-4 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005677 InChI Key: LMIQERWZRIFWNZ-UHFFFAOYSA-N Synonym: 5-hydroxyindole,indol-5-ol,5-hydroxy-1h-indole,hydroxy-5 indole,5-hydroxy-indole,5-indolol,hydroxy-5-indole,5-hydroxyindol,5-hydroxy indole,unii-320un7xzyn PubChem CID: 16054 IUPAC Name: 1H-indol-5-ol SMILES: OC1=CC=C2NC=CC2=C1

PubChem CID 16054
CAS 1953-54-4
Molecular Weight (g/mol) 133.15
MDL Number MFCD00005677
SMILES OC1=CC=C2NC=CC2=C1
Synonym 5-hydroxyindole,indol-5-ol,5-hydroxy-1h-indole,hydroxy-5 indole,5-hydroxy-indole,5-indolol,hydroxy-5-indole,5-hydroxyindol,5-hydroxy indole,unii-320un7xzyn
IUPAC Name 1H-indol-5-ol
InChI Key LMIQERWZRIFWNZ-UHFFFAOYSA-N
Molecular Formula C8H7NO
12

1-Methylindole, 98+%

CAS: 603-76-9 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.18 MDL Number: MFCD00005800 InChI Key: BLRHMMGNCXNXJL-UHFFFAOYSA-N Synonym: 1-methyl-1h-indole,n-methylindole,1h-indole, 1-methyl,indole, 1-methyl,1-methylindol,methylindole,unii-8h698roj5f,n-,chembl19912,n-methylindol PubChem CID: 11781 IUPAC Name: 1-methylindole SMILES: CN1C=CC2=CC=CC=C21

PubChem CID 11781
CAS 603-76-9
Molecular Weight (g/mol) 131.18
MDL Number MFCD00005800
SMILES CN1C=CC2=CC=CC=C21
Synonym 1-methyl-1h-indole,n-methylindole,1h-indole, 1-methyl,indole, 1-methyl,1-methylindol,methylindole,unii-8h698roj5f,n-,chembl19912,n-methylindol
IUPAC Name 1-methylindole
InChI Key BLRHMMGNCXNXJL-UHFFFAOYSA-N
Molecular Formula C9H9N
13

6-Methoxytryptamine, 99%

CAS: 3610-36-4 Molecular Formula: C11H14N2O Molecular Weight (g/mol): 190.24 MDL Number: MFCD00005663 InChI Key: VOCGEKMEZOPDFP-UHFFFAOYSA-N PubChem CID: 17654 IUPAC Name: 2-(6-methoxy-1H-indol-3-yl)ethanamine SMILES: COC1=CC2=C(C=C1)C(=CN2)CCN

PubChem CID 17654
CAS 3610-36-4
Molecular Weight (g/mol) 190.24
MDL Number MFCD00005663
SMILES COC1=CC2=C(C=C1)C(=CN2)CCN
IUPAC Name 2-(6-methoxy-1H-indol-3-yl)ethanamine
InChI Key VOCGEKMEZOPDFP-UHFFFAOYSA-N
Molecular Formula C11H14N2O
14
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Serotonin hydrochloride, 97+%

CAS: 153-98-0 Molecular Formula: C10H12N2O·HCl Molecular Weight (g/mol): 212.68 MDL Number: MFCD00012686 InChI Key: MDIGAZPGKJFIAH-UHFFFAOYSA-N Synonym: serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride PubChem CID: 160436 IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN.Cl

PubChem CID 160436
CAS 153-98-0
Molecular Weight (g/mol) 212.68
MDL Number MFCD00012686
SMILES C1=CC2=C(C=C1O)C(=CN2)CCN.Cl
Synonym serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride
IUPAC Name 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride
InChI Key MDIGAZPGKJFIAH-UHFFFAOYSA-N
Molecular Formula C10H12N2O·HCl
15

3-Indolylacetonitrile, 97%

CAS: 771-51-7 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD00005628 InChI Key: DMCPFOBLJMLSNX-UHFFFAOYSA-N Synonym: 3-indoleacetonitrile,indole-3-acetonitrile,3-indolylacetonitrile,2-1h-indol-3-yl acetonitrile,1h-indole-3-acetonitrile,indolylacetonitrile,3-cyanomethyl indole,indoleacetonitrile,indolylacetonitril,3-indolacetonitrile PubChem CID: 351795 ChEBI: CHEBI:17566 IUPAC Name: 2-(1H-indol-3-yl)acetonitrile SMILES: C1=CC=C2C(=C1)C(=CN2)CC#N

PubChem CID 351795
CAS 771-51-7
Molecular Weight (g/mol) 156.19
ChEBI CHEBI:17566
MDL Number MFCD00005628
SMILES C1=CC=C2C(=C1)C(=CN2)CC#N
Synonym 3-indoleacetonitrile,indole-3-acetonitrile,3-indolylacetonitrile,2-1h-indol-3-yl acetonitrile,1h-indole-3-acetonitrile,indolylacetonitrile,3-cyanomethyl indole,indoleacetonitrile,indolylacetonitril,3-indolacetonitrile
IUPAC Name 2-(1H-indol-3-yl)acetonitrile
InChI Key DMCPFOBLJMLSNX-UHFFFAOYSA-N
Molecular Formula C10H8N2