Vitas-M small molecule compound
propyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363792
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C28H29BrClNO5 MW 574.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrClNO5/c1-4-10-36-28(34)24-15(3)31-21-12-17(16-6-8-19(30)9-7-16)13-22(32)26(21)25(24)18-11-20(29)27(33)23(14-18)35-5-2/h6-9,11,14,17,25,31,33H,4-5,10,12-13H2,1-3H3InChIKey
CYSLICZRWGFRAB-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OCC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC28H29BrClNO5c14103628(34)2415(3)31211217(166819(30)9716)1322(32)26(21)25(24)181120(29)27(33)23(1418)3552h69111417253133H45101213H213H3
MFCD01824426
propyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002776376
ZINC000002776379
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