Vitas-M small molecule compound
methyl 7-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK093606
SMILES COc1ccc(c(c1)OC)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC)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 C26H26ClNO5 MW 467.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClNO5/c1-14-23(26(30)33-4)24(19-10-9-18(31-2)13-22(19)32-3)25-20(28-14)11-16(12-21(25)29)15-5-7-17(27)8-6-15/h5-10,13,16,24,28H,11-12H2,1-4H3InChIKey
NMXFUWVLTJIUJF-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)OC)OC)C(=O)OC
COc1ccc(c(c1)OC)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC)C
InChI=1SC26H26ClNO5c11423(26(30)334)24(1910918(312)1322(19)323)2520(2814)1116(1221(25)29)155717(27)8615h51013162428H1112H214H3
methyl7(4chlorophenyl)4(24dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl7(4chlorophenyl)4(24dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02632879
STK093606
ZINC000001201457
ZINC000001201466
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