Vitas-M small molecule compound

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

Catalog ID
STK422077
SMILES COc1ccccc1C(=O)N1N=C(CC1(O)C(F)(F)F)C

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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 C13H13F3N2O3 MW 302.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13F3N2O3/c1-8-7-12(20,13(14,15)16)18(17-8)11(19)9-5-3-4-6-10(9)21-2/h3-6,20H,7H2,1-2H3
InChIKey
JPVCIOIMCBZASJ-UHFFFAOYSA-N
Synonyms

(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)(2methoxyphenyl)methanone
(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)(2METHOXYPHENYL)METHANONE
1(2METHOXYBENZOYL)3METHYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL5OL
5HYDROXY3METHYL5(TRIFLUOROMETHYL)(2PYRAZOLINYL)2METHOXYPHENYLKETONE
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2OC
InChI=1SC13H13F3N2O3c18712(2013(1415)16)18(178)11(19)9534610(9)212h3620H7H212H3
MFCD01054926
ZINC000000301883
ZINC000000301884

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Available files

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