Vitas-M small molecule compound
ethyl 2-{(4E)-4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK081606
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2ccc(cc2)N(C)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 C20H22N4O3S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S/c1-6-27-19(26)17-13(3)21-20(28-17)24-18(25)16(12(2)22-24)11-14-7-9-15(10-8-14)23(4)5/h7-11H,6H2,1-5H3/b16-11+InChIKey
FNYSIEFJKMCANZ-LFIBNONCSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC=C(C=C3)N(C)C)C(=N2)C)C
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2ccc(cc2)N(C)C)C1=O)C
ethyl2((4E)4((4(dimethylamino)phenyl)methylidene)3methyl5oxopyrazol1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4((4DIMETHYLAMINOPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2((4E)4(4(DIMETHYLAMINO)BENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(4((4(DIMETHYLAMINO)PHENYL)METHYLENE)3METHYL5OXO(12DIAZOLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC20H22N4O3Sc162719(26)1713(3)2120(2817)2418(25)16(12(2)2224)11147915(10814)23(4)5h711H6H215H3b1611+
MFCD03725614
STK081606
ZINC000004663107
ZINC04663107
ZINC4663107
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