Vitas-M small molecule compound
cyclohexyl 4-(4-chlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK045364
SMILES Clc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)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)34-23-10-6-3-7-11-23)27(20-12-14-22(30)15-13-20)28-24(31-18)16-21(17-25(28)32)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,21,23,27,31H,3,6-7,10-11,16-17H2,1H3InChIKey
MTRQDPBTYNUEOB-UHFFFAOYSA-NSynonyms
299944-84-6299944846
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)OC5CCCCC5
Clc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCCC1
cyclohexyl4(4chlorophenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(4chlorophenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H30ClNO3c11826(29(33)3423106371123)27(20121422(30)151320)2824(3118)1621(1725(28)32)198425919h24589121521232731H36710111617H21H3
MFCD00771533
STK045364
ZINC000002801483
ZINC000002801486
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