Vitas-M small molecule compound
cyclohexyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372456
SMILES COc1ccc(cc1OC)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 C31H35NO5 MW 501.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO5/c1-19-28(31(34)37-23-12-8-5-9-13-23)29(21-14-15-26(35-2)27(18-21)36-3)30-24(32-19)16-22(17-25(30)33)20-10-6-4-7-11-20/h4,6-7,10-11,14-15,18,22-23,29,32H,5,8-9,12-13,16-17H2,1-3H3InChIKey
IWOBKQLCOYLACN-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C(=O)OC5CCCCC5
cyclohexyl4(34dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(34dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H35NO5c11928(31(34)3723128591323)29(21141526(352)27(1821)363)3024(3219)1622(1725(30)33)20106471120h467101114151822232932H58912131617H213H3
MFCD00771550
ZINC000019805200
ZINC000019805208
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