Vitas-M small molecule compound
ethyl 2-{(4E)-4-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK034149
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2cc3OCOc3cc2OC)/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 C20H19N3O6S MW 429.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6S/c1-5-27-19(25)17-11(3)21-20(30-17)23-18(24)13(10(2)22-23)6-12-7-15-16(29-9-28-15)8-14(12)26-4/h6-8H,5,9H2,1-4H3/b13-6+InChIKey
AGGSPYHTWXCJLF-AWNIVKPZSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC4=C(C=C3OC)OCO4)C(=N2)C)C
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2cc3OCOc3cc2OC)C1=O)C
ETHYL2((4E)4((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2((4E)4((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(4((6METHOXY(2HBENZO(D)13DIOXOLAN5YL))METHYLENE)3METHYL5OXO(12DIAZOLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC20H19N3O6Sc152719(25)1711(3)2120(3017)2318(24)13(10(2)2223)61271516(2992815)814(12)264h68H59H214H3b136+
MFCD03725611
STK034149
ZINC000009144716
ZINC09144716
ZINC9144716
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.