Vitas-M small molecule compound

1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxylic acid

Catalog ID
STK312456
SMILES OC(=O)c1ccn(n1)COc1cccc(c1)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 C12H9F3N2O3 MW 286.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9F3N2O3/c13-12(14,15)8-2-1-3-9(6-8)20-7-17-5-4-10(16-17)11(18)19/h1-6H,7H2,(H,18,19)
InChIKey
KTFHHDVKSKICRK-UHFFFAOYSA-N
Synonyms
1004193-05-8
1((3(trifluoromethyl)phenoxy)methyl)1Hpyrazole3carboxylicacid
1((3(TRIFLUOROMETHYL)PHENOXY)METHYL)PYRAZOLE3CARBOXYLICACID
1(3TRIFLUOROMETHYLPHENOXYMETHYL)1HPYRAZOLE3CARBOXYLICACID
1004193058
C1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)O)C(F)(F)F
InChI=1SC12H9F3N2O3c1312(1415)82139(68)207175410(1617)11(18)19h16H7H2(H1819)
MFCD04967890
ZINC000002535534
ZINC2535534

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Available files

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