Vitas-M small molecule compound

[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](2-iodophenyl)methanone

Catalog ID
STK454118
SMILES CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccccc1I

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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 C12H10F3IN2O2 MW 398.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10F3IN2O2/c1-7-6-11(20,12(13,14)15)18(17-7)10(19)8-4-2-3-5-9(8)16/h2-5,20H,6H2,1H3
InChIKey
WIYJCYKEUMEJRC-UHFFFAOYSA-N
Synonyms

(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)(2iodophenyl)methanone
(5hydroxy3methyl5(trifluoromethyl)4Hpyrazol1yl)(2iodophenyl)methanone
5HYDROXY3METHYL5(TRIFLUOROMETHYL)(2PYRAZOLINYL)2IODOPHENYLKETONE
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2I
InChI=1SC12H10F3IN2O2c17611(2012(1314)15)18(177)10(19)842359(8)16h2520H6H21H3
MFCD04226572
ZINC000006849414
ZINC000006849489

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Available files

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