Vitas-M small molecule compound
ethyl 2-[(3E)-3-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylidene}-4,5-dioxo-2-phenylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK565485
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccccc2)/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 C32H28N2O6S MW 568.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O6S/c1-4-39-31(38)29-20(3)33-32(41-29)34-26(22-13-9-6-10-14-22)25(28(36)30(34)37)27(35)24-16-15-23(17-19(24)2)40-18-21-11-7-5-8-12-21/h5-17,26,35H,4,18H2,1-3H3/b27-25+InChIKey
HUZMCFJHUIYIAF-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=CC=C5)C
CCOC(=O)c1sc(nc1C)N1C(c2ccccc2)C(=C(c2ccc(cc2C)OCc2ccccc2)O)C(=O)C1=O
ethyl2((3E)3((4(benzyloxy)2methylphenyl)(hydroxy)methylidene)45dioxo2phenylpyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)23DIOXO5PHENYLPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(3(4(BENZYLOXY)2METHYLBENZOYL)4HYDROXY5OXO2PHENYL25DIHYDRO1HPYRROL1YL)4METHYLTHIAZOLE5CARBOXYLATE
InChI=1SC32H28N2O6Sc143931(38)2920(3)3332(4129)3426(221396101422)25(28(36)30(34)37)27(35)24161523(1719(24)2)401821117581221h5172635H418H213H3b2725+
MFCD03794596
ZINC000102535243
ZINC000102535249
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.