Vitas-M small molecule compound
4-(3-fluorophenyl)-7,7-dimethyl-1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781174
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccc(c1)F)C(=O)CC(C2)(C)C)c1ccc(cc1[N+](=O)[O-])C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H25FN4O3 MW 496.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN4O3/c1-18-9-10-22(23(13-18)34(36)37)33-24-15-29(2,3)16-25(35)27(24)26(19-7-6-8-20(30)14-19)21(17-31)28(33)32-11-4-5-12-32/h4-14,26H,15-16H2,1-3H3InChIKey
SSKMSVJSYGYVKD-UHFFFAOYSA-NSynonyms
4(3fluorophenyl)77dimethyl1(4methyl2nitrophenyl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
4(3FLUOROPHENYL)77DIMETHYL1(4METHYL2NITROPHENYL)5OXO2PYRROL1YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=CC(=C(C=C1)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CC(=CC=C5)F)C(=O)CC(C3)(C)C)(N+)(=O)(O)
InChI=1SC29H25FN4O3c11891022(23(1318)34(36)37)33241529(23)1625(35)27(24)26(1976820(30)1419)21(1731)28(33)3211451232h41426H1516H213H3
MFCD06014441
N#CC1=C(n2cccc2)N(C2=C(C1c1cccc(c1)F)C(=O)CC(C2)(C)C)c1ccc(cc1(N+)(=O)(O))C
ZINC000012447352
ZINC000012447354
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