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Pyrrolines

Organic heterocyclic compounds that consist of a five-membered ring with four carbon atoms, one nitrogen atom, and one double bond.

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1

Spirotetramat Metabolite BYI08330-mono-hydroxy, TRC

CAS: 1172134-12-1 Molecular Formula: C18 H25 N O3 Molecular Weight (g/mol): 303.4 Synonym: stereoisomer of 3-(2,5-Dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one,Spirotetramat-mono-hydroxy IUPAC Name: 3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one SMILES: CO[C@@H]1CC[C@@]2(CC1)NC(=O)C(C2O)c3cc(C)ccc3C

CAS 1172134-12-1
Molecular Weight (g/mol) 303.4
SMILES CO[C@@H]1CC[C@@]2(CC1)NC(=O)C(C2O)c3cc(C)ccc3C
Synonym stereoisomer of 3-(2,5-Dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one,Spirotetramat-mono-hydroxy
IUPAC Name 3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one
Molecular Formula C18 H25 N O3
2

myo-Inositol Hexaacetate, TRC

CAS: 1254-38-2 Molecular Formula: C18 H24 O12 Molecular Weight (g/mol): 432.38 IUPAC Name: (2,3,4,5,6-pentaacetyloxycyclohexyl) acetate SMILES: CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

CAS 1254-38-2
Molecular Weight (g/mol) 432.38
SMILES CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
IUPAC Name (2,3,4,5,6-pentaacetyloxycyclohexyl) acetate
Molecular Formula C18 H24 O12
3

Pirprofen, TRC

CAS: 31793-07-4 Molecular Formula: C13 H14 Cl N O2 Molecular Weight (g/mol): 251.71 Synonym: Benzeneacetic acid, 3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)-alpha-methyl-,Hydratropic acid, 3-chloro-4-(3-pyrrolin-1-yl)- (8CI),3-Chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)-alpha-methylbenzeneacetic acid,(+/-)-Pirprofen,2-[3-Chloro-4-(2,5-dihydropyrrol-1-yl)-phenyl]propanoic acid,2-[3-Chloro-4-(3-pyrrolin-1-yl)phenyl]propionic acid,3-Chloro-4-(3-pyrrolin-1-yl)hydratropic acid,Pirprofen,Racemic pirprofen,Rangasil 400,Rengasil,Seflenyl,Su 21524 IUPAC Name: 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoic acid SMILES: CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1

CAS 31793-07-4
Molecular Weight (g/mol) 251.71
SMILES CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1
Synonym Benzeneacetic acid, 3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)-alpha-methyl-,Hydratropic acid, 3-chloro-4-(3-pyrrolin-1-yl)- (8CI),3-Chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)-alpha-methylbenzeneacetic acid,(+/-)-Pirprofen,2-[3-Chloro-4-(2,5-dihydropyrrol-1-yl)-phenyl]propanoic acid,2-[3-Chloro-4-(3-pyrrolin-1-yl)phenyl]propionic acid,3-Chloro-4-(3-pyrrolin-1-yl)hydratropic acid,Pirprofen,Racemic pirprofen,Rangasil 400,Rengasil,Seflenyl,Su 21524
IUPAC Name 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoic acid
Molecular Formula C13 H14 Cl N O2
4

4-Bromo-(1-oxyl-2,2,5,5-tetramethyl-∆3-pyrroline-3-methyl) Methanethiosulfonate, TRC

CAS: 215956-55-1 Molecular Formula: C10 H17 Br N O3 S2 Molecular Weight (g/mol): 343.28 IUPAC Name: 3-bromo-1-λ^{1}-oxidanyl-2,2,5,5-tetramethyl-4-(methylsulfonylsulfanylmethyl)pyrrole SMILES: CC1(C)N([O])C(C)(C)C(=C1Br)CSS(=O)(=O)C

CAS 215956-55-1
Molecular Weight (g/mol) 343.28
SMILES CC1(C)N([O])C(C)(C)C(=C1Br)CSS(=O)(=O)C
IUPAC Name 3-bromo-1-λ^{1}-oxidanyl-2,2,5,5-tetramethyl-4-(methylsulfonylsulfanylmethyl)pyrrole
Molecular Formula C10 H17 Br N O3 S2
5

1-Oxyl-2,2,5,5-tetramethylpyrroline-3-carboxylate N-Hydroxysuccinimide Ester, TRC

CAS: 37558-29-5 Molecular Formula: C13 H17 N2 O5 Molecular Weight (g/mol): 281.28 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrole-3-carboxylate SMILES: CC1(C)C=C(C(=O)ON2C(=O)CCC2=O)C(C)(C)N1[O]

CAS 37558-29-5
Molecular Weight (g/mol) 281.28
SMILES CC1(C)C=C(C(=O)ON2C(=O)CCC2=O)C(C)(C)N1[O]
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrole-3-carboxylate
Molecular Formula C13 H17 N2 O5
6

(1-Oxyl-2,2,5,5-tetramethyl-Delta-3-pyrroline-3-methyl) Methanethiosulfonate, TRC

CAS: 81213-52-7 Molecular Formula: C10 H18 N O3 S2 Molecular Weight (g/mol): 264.38 Synonym: (1-Oxyl-2,2,5,5-Tetramethyl-3-Pyrroline-3-Methyl) Methanethiosulfonate-D15 IUPAC Name: 1-λ^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole SMILES: CC1(C)C=C(CSS(=O)(=O)C)C(C)(C)N1[O]

CAS 81213-52-7
Molecular Weight (g/mol) 264.38
SMILES CC1(C)C=C(CSS(=O)(=O)C)C(C)(C)N1[O]
Synonym (1-Oxyl-2,2,5,5-Tetramethyl-3-Pyrroline-3-Methyl) Methanethiosulfonate-D15
IUPAC Name 1-λ^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole
Molecular Formula C10 H18 N O3 S2
7

Fluoroimide, TRC

CAS: 41205-21-4 Molecular Formula: C10 H4 Cl2 F N O2 Molecular Weight (g/mol): 260.05 Synonym: 3,4-Dichloro-1-(4-fluorophenyl)-1H-pyrrole-2,5-dione,2,3-Dichloro-N-(4-fluorophenyl)maleimide,2,3-Dichloro-N-(p-fluorophenyl)maleimide,Fluoroimide,Fluoromide,MK 23,N-(4-Fluorophenyl)-2,3-dichloromaleimide,N-(4-Fluorophenyl)dichloromaleimide,N-(p-Fluorophenyl)-2,3-dichloromaleimide,NSC 622384,Spartcide,Spat IUPAC Name: 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione SMILES: Fc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl

CAS 41205-21-4
Molecular Weight (g/mol) 260.05
SMILES Fc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl
Synonym 3,4-Dichloro-1-(4-fluorophenyl)-1H-pyrrole-2,5-dione,2,3-Dichloro-N-(4-fluorophenyl)maleimide,2,3-Dichloro-N-(p-fluorophenyl)maleimide,Fluoroimide,Fluoromide,MK 23,N-(4-Fluorophenyl)-2,3-dichloromaleimide,N-(4-Fluorophenyl)dichloromaleimide,N-(p-Fluorophenyl)-2,3-dichloromaleimide,NSC 622384,Spartcide,Spat
IUPAC Name 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione
Molecular Formula C10 H4 Cl2 F N O2
8

Dechlorane 604 Component A, TRC

CAS: 34571-16-9 Molecular Formula: C13H4Br4Cl6 Molecular Weight (g/mol): 692.5 Synonym: 1,2,3,4,7,7-Hexachloro-5-(tetrabromophenyl)bicyclo[2.2.1]hept-2-ene,5-(Tetrabromophenyl)-1,2,3,4,7,7-hexachloro-2-norbornene,Hexachlorocyclopentadiene-tetrabromostyrene Adduct; IUPAC Name: (5R)-1,2,3,4,7,7-hexachloro-5-(2,3,5,6-tetrabromophenyl)bicyclo[2.2.1]hept-2-ene SMILES: ClC12C(Cl)=C(Cl)C(C2(Cl)Cl)(Cl)C[C@@H]1C3=C(Br)C(Br)=CC(Br)=C3Br

CAS 34571-16-9
Molecular Weight (g/mol) 692.5
SMILES ClC12C(Cl)=C(Cl)C(C2(Cl)Cl)(Cl)C[C@@H]1C3=C(Br)C(Br)=CC(Br)=C3Br
Synonym 1,2,3,4,7,7-Hexachloro-5-(tetrabromophenyl)bicyclo[2.2.1]hept-2-ene,5-(Tetrabromophenyl)-1,2,3,4,7,7-hexachloro-2-norbornene,Hexachlorocyclopentadiene-tetrabromostyrene Adduct;
IUPAC Name (5R)-1,2,3,4,7,7-hexachloro-5-(2,3,5,6-tetrabromophenyl)bicyclo[2.2.1]hept-2-ene
Molecular Formula C13H4Br4Cl6
9

N-(4-METHYL-2-NITROPHENYL)MALEIMIDE, TRC

CAS: 91135-77-2 Molecular Formula: C11H8N2O4 Molecular Weight (g/mol): 232.19 Synonym: 1-(4-Methyl-2-nitrophenyl)-1H-pyrrole-2,5-dione;1-(4-Methyl-2-nitro-phenyl)-pyrrole-2,5-dione;1-(4-Methyl-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione;1-(4-Methyl-2-nitrophenyl)pyrrole-2,5-dione; IUPAC Name: 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione SMILES: Cc1ccc(N2C(=O)C=CC2=O)c(c1)[N+](=O)[O-]

CAS 91135-77-2
Molecular Weight (g/mol) 232.19
SMILES Cc1ccc(N2C(=O)C=CC2=O)c(c1)[N+](=O)[O-]
Synonym 1-(4-Methyl-2-nitrophenyl)-1H-pyrrole-2,5-dione;1-(4-Methyl-2-nitro-phenyl)-pyrrole-2,5-dione;1-(4-Methyl-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione;1-(4-Methyl-2-nitrophenyl)pyrrole-2,5-dione;
IUPAC Name 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione
Molecular Formula C11H8N2O4
10

Spirotetramat-keto-hydroxy (Mixture of Diastereomers), TRC

CAS: 1172134-11-0 Molecular Formula: C18 H23 N O4 Molecular Weight (g/mol): 317.38 Synonym: 3-(2,5-Dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione,Spirotetramat-keto-hydroxy IUPAC Name: 3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione SMILES: CO[C@@H]1CC[C@@]2(CC1)NC(=O)C(O)(C2=O)c3cc(C)ccc3C

CAS 1172134-11-0
Molecular Weight (g/mol) 317.38
SMILES CO[C@@H]1CC[C@@]2(CC1)NC(=O)C(O)(C2=O)c3cc(C)ccc3C
Synonym 3-(2,5-Dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione,Spirotetramat-keto-hydroxy
IUPAC Name 3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
Molecular Formula C18 H23 N O4
11

3-Ethyl-2,5-dihydro-4-methyl-2-oxo-N-(2-phenylethyl)-1H-pyrrole-1-carboxamide, TRC

CAS: 247098-18-6 Molecular Formula: C16 H20 N2 O2 Molecular Weight (g/mol): 272.34 Synonym: 1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-2-oxo-N-(2-phenylethyl)-,3-Ethyl-2,5-dihydro-4-methyl-2-oxo-N-(2-phenylethyl)-1H-pyrrole-1-carboxamide,3-Ethyl-4-methyl-2-oxo-N-(2-phenylethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide IUPAC Name: 4-ethyl-3-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-1-carboxamide SMILES: CCC1=C(C)CN(C(=O)NCCc2ccccc2)C1=O

CAS 247098-18-6
Molecular Weight (g/mol) 272.34
SMILES CCC1=C(C)CN(C(=O)NCCc2ccccc2)C1=O
Synonym 1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-2-oxo-N-(2-phenylethyl)-,3-Ethyl-2,5-dihydro-4-methyl-2-oxo-N-(2-phenylethyl)-1H-pyrrole-1-carboxamide,3-Ethyl-4-methyl-2-oxo-N-(2-phenylethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide
IUPAC Name 4-ethyl-3-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-1-carboxamide
Molecular Formula C16 H20 N2 O2