Vitas-M small molecule compound
methyl 2-{(3E)-2-(2,4-dichlorophenyl)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK564198
SMILES COc1ccc(c(c1)C)/C(=C\1/C(c2ccc(cc2Cl)Cl)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)/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 C25H20Cl2N2O6S MW 547.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N2O6S/c1-11-9-14(34-3)6-8-15(11)20(30)18-19(16-7-5-13(26)10-17(16)27)29(23(32)21(18)31)25-28-12(2)22(36-25)24(33)35-4/h5-10,19,30H,1-4H3/b20-18+InChIKey
XGQYZFAVKRWBME-CZIZESTLSA-NSynonyms
488724-57-8488724578
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=C(C=C(C=C4)Cl)Cl)O
COc1ccc(c(c1)C)C(=C1C(c2ccc(cc2Cl)Cl)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)O
InChI=1SC25H20Cl2N2O6Sc111914(343)6815(11)20(30)1819(167513(26)1017(16)27)29(23(32)21(18)31)252812(2)22(3625)24(33)354h5101930H14H3b2018+
methyl2((3E)2(24dichlorophenyl)3(hydroxy(4methoxy2methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD03793822
ZINC000102526408
ZINC000102526414
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