Vitas-M small molecule compound
ethyl 2-{(4E)-4-[(5-ethylthiophen-2-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK364767
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2ccc(s2)CC)/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 C18H19N3O3S2 MW 389.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O3S2/c1-5-12-7-8-13(25-12)9-14-10(3)20-21(16(14)22)18-19-11(4)15(26-18)17(23)24-6-2/h7-9H,5-6H2,1-4H3/b14-9+InChIKey
WSMHPRMEDRPFQM-NTEUORMPSA-NSynonyms
CCC1=CC=C(S1)C=C2C(=NN(C2=O)C3=NC(=C(S3)C(=O)OCC)C)C
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2ccc(s2)CC)C1=O)C
ETHYL2((4E)4((5ETHYLTHIOPHEN2YL)METHYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2((4E)4((5ETHYLTHIOPHEN2YL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(4((5ETHYL(2THIENYL))METHYLENE)3METHYL5OXO(12DIAZOLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC18H19N3O3S2c15127813(2512)91410(3)2021(16(14)22)181911(4)15(2618)17(23)2462h79H56H214H3b149+
MFCD03649605
ZINC000004544909
ZINC04544909
ZINC4544909
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