Vitas-M small molecule compound

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

Catalog ID
STK794722
SMILES Brc1cccc(c1)C(=O)N1N=C(CC1(O)C(F)(F)F)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 C12H7BrF6N2O2 MW 405.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7BrF6N2O2/c13-7-3-1-2-6(4-7)9(22)21-10(23,12(17,18)19)5-8(20-21)11(14,15)16/h1-4,23H,5H2
InChIKey
PRSXTZUCPXNACB-UHFFFAOYSA-N
Synonyms

(3bromophenyl)(5hydroxy35bis(trifluoromethyl)45dihydro1Hpyrazol1yl)methanone
(3BROMOPHENYL)(5HYDROXY35BIS(TRIFLUOROMETHYL)4HPYRAZOL1YL)METHANONE
(3BROMOPHENYL)(5HYDROXY35BISTRIFLUOROMETHYL45DIHYDROPYRAZOL1YL)METHANONE
35BIS(TRIFLUOROMETHYL)5HYDROXY(2PYRAZOLINYL)3BROMOPHENYLKETONE
C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)Br)C(F)(F)F
InChI=1SC12H7BrF6N2O2c1373126(47)9(22)2110(2312(1718)19)58(2021)11(1415)16h1423H5H2
MFCD02110022
ZINC000004143241
ZINC000004143242

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Available files

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