Vitas-M small molecule compound
ethyl 4-methyl-2-{(4E)-3-methyl-5-oxo-4-[4-(prop-2-yn-1-yloxy)benzylidene]-4,5-dihydro-1H-pyrazol-1-yl}-1,3-thiazole-5-carboxylate
Catalog ID
STK743047
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2ccc(cc2)OCC#C)/C1=O)C
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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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-5-11-28-16-9-7-15(8-10-16)12-17-13(3)23-24(19(17)25)21-22-14(4)18(29-21)20(26)27-6-2/h1,7-10,12H,6,11H2,2-4H3/b17-12+InChIKey
AMSNTLQNEHZERE-SFQUDFHCSA-NSynonyms
445429-60-7(E)ethyl4methyl2(3methyl5oxo4(4(prop2yn1yloxy)benzylidene)45dihydro1Hpyrazol1yl)thiazole5carboxylate
445429607
4METHYL2(3METHYL5OXO4(1(4PROP2YNYLOXYPHENYL)METH(E)YLIDENE)45DIHYDROPYRAZOL1YL)THIAZOLE5CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC=C(C=C3)OCC#C)C(=N2)C)C
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2ccc(cc2)OCC#C)C1=O)C
ETHYL4METHYL2((4E)3METHYL5OXO4((4PROP2YNOXYPHENYL)METHYLIDENE)PYRAZOL1YL)13THIAZOLE5CARBOXYLATE
ethyl4methyl2((4E)3methyl5oxo4(4(prop2yn1yloxy)benzylidene)45dihydro1Hpyrazol1yl)13thiazole5carboxylate
InChI=1SC21H19N3O4Sc151128169715(81016)121713(3)2324(19(17)25)212214(4)18(2921)20(26)2762h171012H611H224H3b1712+
MFCD03271182
ZINC000005025181
ZINC05025181
ZINC5025181
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