Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-phenyl-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK782458
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1ccccc1
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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 C29H25N3O3 MW 463.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O3/c1-29(2)15-22-27(23(33)16-29)26(19-10-11-24-25(14-19)35-18-34-24)21(17-30)28(31-12-6-7-13-31)32(22)20-8-4-3-5-9-20/h3-14,26H,15-16,18H2,1-2H3InChIKey
SVTGQKBXXQSDON-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)77dimethyl5oxo1phenyl2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
4(13BENZODIOXOL5YL)77DIMETHYL5OXO1PHENYL2PYRROL1YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1)C
InChI=1SC29H25N3O3c129(2)152227(23(33)1629)26(1910112425(1419)35183424)21(1730)28(3112671331)32(22)208435920h31426H151618H212H3
MFCD06017624
ZINC000012402345
ZINC000012402346
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