Vitas-M small molecule compound
cyclohexyl 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
STK055099
SMILES CCOc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC1CCCCC1
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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 C31H33BrClNO5 MW 614.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33BrClNO5/c1-3-38-26-16-20(13-23(32)30(26)36)28-27(31(37)39-22-7-5-4-6-8-22)17(2)34-24-14-19(15-25(35)29(24)28)18-9-11-21(33)12-10-18/h9-13,16,19,22,28,34,36H,3-8,14-15H2,1-2H3InChIKey
NQNFBJVDSBFERH-UHFFFAOYSA-NSynonyms
312596-14-8312596148
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OC5CCCCC5)C)Br)O
CCOc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC1CCCCC1
cyclohexyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H33BrClNO5c1338261620(1323(32)30(26)36)2827(31(37)39227546822)17(2)34241419(1525(35)29(24)28)1891121(33)121018h913161922283436H381415H212H3
MFCD01824324
STK055099
ZINC000059706312
ZINC000059706317
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