Vitas-M small molecule compound
ethyl 2-[(4E)-4-(2,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL371640
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2cc(OC)ccc2OC)/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 C20H21N3O5S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5S/c1-6-28-19(25)17-12(3)21-20(29-17)23-18(24)15(11(2)22-23)10-13-9-14(26-4)7-8-16(13)27-5/h7-10H,6H2,1-5H3/b15-10+InChIKey
XLKXDDCAPAZGHF-XNTDXEJSSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=C(C=CC(=C3)OC)OC)C(=N2)C)C
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2cc(OC)ccc2OC)C1=O)C
ETHYL2((4E)4((25DIMETHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((4E)4(25dimethoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)4methyl13thiazole5carboxylate
ETHYL2(4((25DIMETHOXYPHENYL)METHYLENE)3METHYL5OXO(12DIAZOLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC20H21N3O5Sc162819(25)1712(3)2120(2917)2318(24)15(11(2)2223)1013914(264)7816(13)275h710H6H215H3b1510+
MFCD05041302
ZINC000005979932
ZINC05979932
ZINC5979932
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