Vitas-M small molecule compound
propan-2-yl 7-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK097618
SMILES COc1ccc(c(c1)OC)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC(C)C)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 C28H30ClNO5 MW 496.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO5/c1-15(2)35-28(32)25-16(3)30-22-12-18(17-6-8-19(29)9-7-17)13-23(31)27(22)26(25)21-11-10-20(33-4)14-24(21)34-5/h6-11,14-15,18,26,30H,12-13H2,1-5H3InChIKey
IOWSXICVWIFAJC-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(C)C
COc1ccc(c(c1)OC)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC(C)C)C
InChI=1SC28H30ClNO5c115(2)3528(32)2516(3)30221218(176819(29)9717)1323(31)27(22)26(25)21111020(334)1424(21)345h6111415182630H1213H215H3
MFCD01824431
propan2yl7(4chlorophenyl)4(24dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl7(4chlorophenyl)4(24dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK097618
ZINC000001204032
ZINC000001204043
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