Vitas-M small molecule compound
cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(3-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK004408
SMILES CCOc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC1CCCCC1)C
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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 C33H39NO6 MW 545.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39NO6/c1-5-39-25-13-9-10-22(16-25)31-30(33(36)40-24-11-7-6-8-12-24)20(2)34-26-17-23(18-27(35)32(26)31)21-14-15-28(37-3)29(19-21)38-4/h9-10,13-16,19,23-24,31,34H,5-8,11-12,17-18H2,1-4H3InChIKey
MPELJBNYRLUICT-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC(=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OC5CCCCC5)C
CCOc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC1CCCCC1)C
cyclohexyl7(34dimethoxyphenyl)4(3ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl7(34dimethoxyphenyl)4(3ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC33H39NO6c1539251391022(1625)3130(33(36)4024117681224)20(2)34261723(1827(35)32(26)31)21141528(373)29(1921)384h91013161923243134H5811121718H214H3
MFCD02224219
STK004408
ZINC000100705444
ZINC000100705454
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