Vitas-M small molecule compound
ethyl 4-[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STK347790
SMILES CCOC(=O)c1ccc(cc1)N1N=C(CC1=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 C13H11F3N2O3 MW 300.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11F3N2O3/c1-2-21-12(20)8-3-5-9(6-4-8)18-11(19)7-10(17-18)13(14,15)16/h3-6H,2,7H2,1H3InChIKey
BXNKBHBSGPEBNU-UHFFFAOYSA-NSynonyms
591212-52-14(5OXO3TRIFLUOROMETHYL45DIHYDROPYRAZOL1YL)BENZOICACIDETHYLESTER
591212521
CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)C(F)(F)F
ETHYL4(5OXO3(TRIFLUOROMETHYL)2PYRAZOLINYL)BENZOATE
ethyl4(5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoate
ETHYL4(5OXO3(TRIFLUOROMETHYL)4HPYRAZOL1YL)BENZOATE
InChI=1SC13H11F3N2O3c122112(20)8359(648)1811(19)710(1718)13(1415)16h36H27H21H3
MFCD03444858
ZINC000100631353
ZINC100631353
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