Vitas-M small molecule compound
ethyl 4-[(4Z)-5-oxo-4-(thiophen-2-ylmethylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STL432509
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2cccs2)/C1=O)C(F)(F)F
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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 C18H13F3N2O3S MW 394.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13F3N2O3S/c1-2-26-17(25)11-5-7-12(8-6-11)23-16(24)14(10-13-4-3-9-27-13)15(22-23)18(19,20)21/h3-10H,2H2,1H3/b14-10-InChIKey
TXJGCNFEUFROKU-UVTDQMKNSA-NSynonyms
431908-58-6431908586
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CS3)C(=N2)C(F)(F)F
CCOC(=O)c1ccc(cc1)N1N=C(C(=Cc2cccs2)C1=O)C(F)(F)F
ethyl4((4Z)5oxo4(thiophen2ylmethylidene)3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoate
ETHYL4((4Z)5OXO4(THIOPHEN2YLMETHYLIDENE)3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZOATE
InChI=1SC18H13F3N2O3Sc122617(25)115712(8611)2316(24)14(10134392713)15(2223)18(1920)21h310H2H21H3b1410
MFCD03142504
ZINC000004818792
ZINC04818792
ZINC4818792
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