Vitas-M small molecule compound
methyl 2-{(3E)-2-(4-ethoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK853813
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
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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 C25H22N2O6S MW 478.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O6S/c1-4-33-17-12-10-15(11-13-17)19-18(20(28)16-8-6-5-7-9-16)21(29)23(30)27(19)25-26-14(2)22(34-25)24(31)32-3/h5-13,19,28H,4H2,1-3H3/b20-18+InChIKey
ZISSLZUIPUNYCV-CZIZESTLSA-NSynonyms
371225-01-3371225013
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C
CCOc1ccc(cc1)C1C(=C(c2ccccc2)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
InChI=1SC25H22N2O6Sc143317121015(111317)1918(20(28)168657916)21(29)23(30)27(19)252614(2)22(3425)24(31)323h5131928H4H213H3b2018+
methyl2((3E)2(4ethoxyphenyl)3(hydroxy(phenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(5(4ETHOXYPHENYL)3HYDROXY2OXO4(PHENYLCARBONYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD08730948
ZINC000102803569
ZINC000102803571
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