Vitas-M small molecule compound
propan-2-yl 7-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK002363
SMILES COc1cccc(c1OC)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)24-16(3)30-21-13-18(17-9-11-19(29)12-10-17)14-22(31)26(21)25(24)20-7-6-8-23(33-4)27(20)34-5/h6-12,15,18,25,30H,13-14H2,1-5H3InChIKey
BELUHBIMHWJRBB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=C(C(=CC=C4)OC)OC)C(=O)OC(C)C
COc1cccc(c1OC)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC(C)C)C
InChI=1SC28H30ClNO5c115(2)3528(32)2416(3)30211318(1791119(29)121017)1422(31)26(21)25(24)2076823(334)27(20)345h61215182530H1314H215H3
MFCD01590129
propan2yl7(4chlorophenyl)4(23dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl7(4chlorophenyl)4(23dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK002363
ZINC000019770190
ZINC000019770193
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