Vitas-M small molecule compound
cyclohexyl 4-(2-chlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372454
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1Cl)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 C29H30ClNO3 MW 476.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClNO3/c1-18-26(29(33)34-21-12-6-3-7-13-21)27(22-14-8-9-15-23(22)30)28-24(31-18)16-20(17-25(28)32)19-10-4-2-5-11-19/h2,4-5,8-11,14-15,20-21,27,31H,3,6-7,12-13,16-17H2,1H3InChIKey
KFJZSLWOLHLILZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4Cl)C(=O)OC5CCCCC5
cyclohexyl4(2chlorophenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(2chlorophenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H30ClNO3c11826(29(33)3421126371321)27(2214891523(22)30)2824(3118)1620(1725(28)32)19104251119h245811141520212731H36712131617H21H3
MFCD00771532
ZINC000002057966
ZINC000002057969
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