Vitas-M small molecule compound

ethyl 4-methyl-2-{(4E)-3-methyl-4-[(5-methylfuran-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-1,3-thiazole-5-carboxylate

Catalog ID
STK051301
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2ccc(o2)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 C17H17N3O4S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O4S/c1-5-23-16(22)14-11(4)18-17(25-14)20-15(21)13(10(3)19-20)8-12-7-6-9(2)24-12/h6-8H,5H2,1-4H3/b13-8+
InChIKey
QDGUHSQXJVQXBD-MDWZMJQESA-N
Synonyms
5536-54-9
5536549
CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC=C(O3)C)C(=N2)C)C
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2ccc(o2)C)C1=O)C
ETHYL4METHYL2((4E)3METHYL4((5METHYLFURAN2YL)METHYLIDENE)5OXO45DIHYDRO1HPYRAZOL1YL)13THIAZOLE5CARBOXYLATE
ETHYL4METHYL2((4E)3METHYL4((5METHYLFURAN2YL)METHYLIDENE)5OXOPYRAZOL1YL)13THIAZOLE5CARBOXYLATE
ETHYL4METHYL2(3METHYL4((5METHYL(2FURYL))METHYLENE)5OXO(12DIAZOLINYL))13THIAZOLE5CARBOXYLATE
InChI=1SC17H17N3O4Sc152316(22)1411(4)1817(2514)2015(21)13(10(3)1920)812769(2)2412h68H5H214H3b138+
MFCD03725613
STK051301
ZINC000004289879
ZINC04289879
ZINC4289879

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.