Vitas-M small molecule compound

[5-hydroxy-3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone

Catalog ID
STK794720
SMILES O=C(N1N=C(CC1(O)C(F)(F)F)C(F)(F)F)c1ccccc1

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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 C12H8F6N2O2 MW 326.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8F6N2O2/c13-11(14,15)8-6-10(22,12(16,17)18)20(19-8)9(21)7-4-2-1-3-5-7/h1-5,22H,6H2
InChIKey
BOCDRQDDEPQHIV-UHFFFAOYSA-N
Synonyms

(5hydroxy35bis(trifluoromethyl)45dihydro1Hpyrazol1yl)(phenyl)methanone
(5HYDROXY35BIS(TRIFLUOROMETHYL)4HPYRAZOL1YL)PHENYLMETHANONE
1BENZOYL35BIS(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL5OL
1BENZOYL45DIHYDRO35BIS(TRIFLUOROMETHYL)1HPYRAZOLE5OL
C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=C2)C(F)(F)F
InChI=1SC12H8F6N2O2c1311(1415)8610(2212(1617)18)20(198)9(21)7421357h1522H6H2
MFCD01821843
ZINC000000052747
ZINC000000052748

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Available files

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