Vitas-M small molecule compound
ethyl 2-[(3E)-3-[hydroxy(phenyl)methylidene]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL040293
SMILES CCOC(=O)c1sc(nc1C)N1C(c2cccs2)/C(=C(/c2ccccc2)\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 C22H18N2O5S2 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O5S2/c1-3-29-21(28)19-12(2)23-22(31-19)24-16(14-10-7-11-30-14)15(18(26)20(24)27)17(25)13-8-5-4-6-9-13/h4-11,16,25H,3H2,1-2H3/b17-15+InChIKey
WJLXJOSVLBKNBH-BMRADRMJSA-NSynonyms
381206-17-3381206173
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC=CC=C3)O)C(=O)C2=O)C4=CC=CS4)C
CCOC(=O)c1sc(nc1C)N1C(c2cccs2)C(=C(c2ccccc2)O)C(=O)C1=O
ethyl2((3E)3(hydroxy(phenyl)methylidene)45dioxo2(thiophen2yl)pyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4(HYDROXY(PHENYL)METHYLIDENE)23DIOXO5THIOPHEN2YLPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(3HYDROXY2OXO4(PHENYLCARBONYL)5(2THIENYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC22H18N2O5S2c132921(28)1912(2)2322(3119)2416(14107113014)15(18(26)20(24)27)17(25)138546913h4111625H3H212H3b1715+
MFCD03818290
ZINC000102865924
ZINC000102865930
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