Vitas-M small molecule compound
ethyl 2-{(4E)-4-[(5-bromofuran-2-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK710273
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2ccc(o2)Br)/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 C16H14BrN3O4S MW 424.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrN3O4S/c1-4-23-15(22)13-9(3)18-16(25-13)20-14(21)11(8(2)19-20)7-10-5-6-12(17)24-10/h5-7H,4H2,1-3H3/b11-7+InChIKey
OULRDCRAHJRASU-YRNVUSSQSA-NSynonyms
578756-94-2(E)ethyl2(4((5bromofuran2yl)methylene)3methyl5oxo45dihydro1Hpyrazol1yl)4methylthiazole5carboxylate
578756942
CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC=C(O3)Br)C(=N2)C)C
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2ccc(o2)Br)C1=O)C
ethyl2((4E)4((5bromofuran2yl)methylidene)3methyl5oxo45dihydro1Hpyrazol1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4((5BROMOFURAN2YL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC16H14BrN3O4Sc142315(22)139(3)1816(2513)2014(21)11(8(2)1920)7105612(17)2410h57H4H213H3b117+
MFCD04024859
ZINC000009295997
ZINC09295997
ZINC9295997
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