Vitas-M small molecule compound
2-phenoxyethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK069423
SMILES COc1cc(Br)c(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCOc1ccccc1
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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 C33H32BrNO6 MW 618.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32BrNO6/c1-20-30(33(37)41-15-14-40-23-12-8-5-9-13-23)31(24-18-28(38-2)29(39-3)19-25(24)34)32-26(35-20)16-22(17-27(32)36)21-10-6-4-7-11-21/h4-13,18-19,22,31,35H,14-17H2,1-3H3InChIKey
KGUWVOXEWIEIMH-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(2bromo45dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenoxyethyl4(2bromo45dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4Br)OC)OC)C(=O)OCCOC5=CC=CC=C5
COc1cc(Br)c(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCOc1ccccc1
InChI=1SC33H32BrNO6c12030(33(37)4115144023128591323)31(241828(382)29(393)1925(24)34)3226(3520)1622(1727(32)36)21106471121h4131819223135H1417H213H3
MFCD01529822
STK069423
ZINC000100552178
ZINC000100552187
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