Vitas-M small molecule compound
cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK094692
SMILES CCOc1ccccc1C1C2=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/c1-5-39-27-14-10-9-13-24(27)31-30(33(36)40-23-11-7-6-8-12-23)20(2)34-25-17-22(18-26(35)32(25)31)21-15-16-28(37-3)29(19-21)38-4/h9-10,13-16,19,22-23,31,34H,5-8,11-12,17-18H2,1-4H3InChIKey
LJYAMDWDMJNYGM-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OC5CCCCC5)C
CCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC1CCCCC1)C
cyclohexyl7(34dimethoxyphenyl)4(2ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl7(34dimethoxyphenyl)4(2ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC33H39NO6c153927141091324(27)3130(33(36)4023117681223)20(2)34251722(1826(35)32(25)31)21151628(373)29(1921)384h91013161922233134H5811121718H214H3
MFCD02224262
STK094692
ZINC000100706007
ZINC000100706018
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