Vitas-M small molecule compound
ethyl 2-{(3E)-2-(3,4-dichlorophenyl)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL044138
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2C)OC)/O)/C1c1ccc(c(c1)Cl)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 C26H22Cl2N2O6S MW 561.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N2O6S/c1-5-36-25(34)23-13(3)29-26(37-23)30-20(14-6-9-17(27)18(28)11-14)19(22(32)24(30)33)21(31)16-8-7-15(35-4)10-12(16)2/h6-11,20,31H,5H2,1-4H3/b21-19+InChIKey
GPOSVMFWDRDRDI-XUTLUUPISA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=C(C=C(C=C3)OC)C)O)C(=O)C2=O)C4=CC(=C(C=C4)Cl)Cl)C
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2C)OC)O)C1c1ccc(c(c1)Cl)Cl
ethyl2((3E)2(34dichlorophenyl)3(hydroxy(4methoxy2methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC26H22Cl2N2O6Sc153625(34)2313(3)2926(3723)3020(146917(27)18(28)1114)19(22(32)24(30)33)21(31)168715(354)1012(16)2h6112031H5H214H3b2119+
MFCD03807340
ZINC000102874625
ZINC000102874627
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