Vitas-M small molecule compound
ethyl 2-[(4E)-4-(4-ethoxy-3-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK047568
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2ccc(c(c2)OC)OCC)/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 C21H23N3O5S MW 429.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5S/c1-6-28-16-9-8-14(11-17(16)27-5)10-15-12(3)23-24(19(15)25)21-22-13(4)18(30-21)20(26)29-7-2/h8-11H,6-7H2,1-5H3/b15-10+InChIKey
ZNAUKBMEKRWFMH-XNTDXEJSSA-NSynonyms
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2ccc(c(c2)OC)OCC)C1=O)C
CCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=NC(=C(S3)C(=O)OCC)C)C)OC
ETHYL2((4E)4((4ETHOXY3METHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2((4E)4(4ETHOXY3METHOXYBENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(4((4ETHOXY3METHOXYPHENYL)METHYLENE)3METHYL5OXO(12DIAZOLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC21H23N3O5Sc1628169814(1117(16)275)101512(3)2324(19(15)25)212213(4)18(3021)20(26)2972h811H67H215H3b1510+
MFCD03725615
STK047568
ZINC000008815826
ZINC08815826
ZINC8815826
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