Vitas-M small molecule compound
ethyl 2-[(3E)-3-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylidene}-2-(4-bromophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL150230
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)Br)/C(=C(/c2ccc(cc2C)OCc2ccccc2)\O)/C(=O)C1=O
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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 C32H27BrN2O6S MW 647.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27BrN2O6S/c1-4-40-31(39)29-19(3)34-32(42-29)35-26(21-10-12-22(33)13-11-21)25(28(37)30(35)38)27(36)24-15-14-23(16-18(24)2)41-17-20-8-6-5-7-9-20/h5-16,26,36H,4,17H2,1-3H3/b27-25+InChIKey
DLKSEEIAABETHR-IMVLJIQESA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C2=O)C5=CC=C(C=C5)Br)C
CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)Br)C(=C(c2ccc(cc2C)OCc2ccccc2)O)C(=O)C1=O
ETHYL2((3E)2(4BROMOPHENYL)3(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((3E)3((4(benzyloxy)2methylphenyl)(hydroxy)methylidene)2(4bromophenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC32H27BrN2O6Sc144031(39)2919(3)3432(4229)3526(21101222(33)131121)25(28(37)30(35)38)27(36)24151423(1618(24)2)4117208657920h5162636H417H213H3b2725+
MFCD04075124
ZINC000150391956
ZINC000150391958
Check stock
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Check stock on Vitas-MAvailable files
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