Vitas-M small molecule compound
cyclohexyl 2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK060985
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1)C(=O)CC(C2)c1ccccc1)OC1CCCCC1
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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 C29H31NO3 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO3/c1-19-26(29(32)33-23-15-9-4-10-16-23)27(21-13-7-3-8-14-21)28-24(30-19)17-22(18-25(28)31)20-11-5-2-6-12-20/h2-3,5-8,11-14,22-23,27,30H,4,9-10,15-18H2,1H3InChIKey
USDMBBGSNOGXPP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC5CCCCC5
cyclohexyl2methyl5oxo47diphenyl145678hexahydroquinoline3carboxylate
cyclohexyl2methyl5oxo47diphenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H31NO3c11926(29(32)33231594101623)27(21137381421)2824(3019)1722(1825(28)31)20115261220h2358111422232730H49101518H21H3
MFCD00771541
O=C(C1=C(C)NC2=C(C1c1ccccc1)C(=O)CC(C2)c1ccccc1)OC1CCCCC1
STK060985
ZINC000019634626
ZINC000019634639
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