Vitas-M small molecule compound

[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl](2-methoxyphenyl)methanone

Catalog ID
STK449226
SMILES COc1ccccc1C(=O)N1N=C(CC1(O)C(F)F)C(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 C13H12F4N2O3 MW 320.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F4N2O3/c1-22-9-5-3-2-4-7(9)11(20)19-13(21,12(16)17)6-8(18-19)10(14)15/h2-5,10,12,21H,6H2,1H3
InChIKey
JNXLDHFAGIYNAE-UHFFFAOYSA-N
Synonyms

(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)(2methoxyphenyl)methanone
(35BIS(DIFLUOROMETHYL)5HYDROXY4HPYRAZOL1YL)(2METHOXYPHENYL)METHANONE
35BIS(DIFLUOROMETHYL)1(2METHOXYBENZOYL)45DIHYDRO1HPYRAZOL5OL
35BIS(DIFLUOROMETHYL)5HYDROXY(2PYRAZOLINYL)2METHOXYPHENYLKETONE
COC1=CC=CC=C1C(=O)N2C(CC(=N2)C(F)F)(C(F)F)O
InChI=1SC13H12F4N2O3c122953247(9)11(20)1913(2112(16)17)68(1819)10(14)15h25101221H6H21H3
MFCD03466665
ZINC000000204572
ZINC000000204575

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Available files

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