Vitas-M small molecule compound

1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

Catalog ID
STK292773
SMILES OC(=O)c1nn(c(c1)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 C6H5F3N2O2 MW 194.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H5F3N2O2/c1-11-4(6(7,8)9)2-3(10-11)5(12)13/h2H,1H3,(H,12,13)
InChIKey
QMIUBFUPVMQMRE-UHFFFAOYSA-N
Synonyms
481065-92-3
1HPYRAZOLE3CARBOXYLICACID1METHYL5(TRIFLUOROMETHYL)
1methyl5(trifluoromethyl)1Hpyrazole3carboxylicacid
1METHYL5(TRIFLUOROMETHYL)PYRAZOLE3CARBOXYLICACID
1METHYL5TRIFLUOROMETHYL1HPYRAZOLE3CARBOXYLICACID
481065923
CN1C(=CC(=N1)C(=O)O)C(F)(F)F
InChI=1SC6H5F3N2O2c1114(6(78)9)23(1011)5(12)13h2H1H3(H1213)
MFCD03074319
ZINC000004294603
ZINC4294603

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Available files

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