Vitas-M small molecule compound

methyl 4-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoate

Catalog ID
STK094719
SMILES COC(=O)c1ccc(cc1)Cn1nc(cc1C)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 C14H13F3N2O2 MW 298.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13F3N2O2/c1-9-7-12(14(15,16)17)18-19(9)8-10-3-5-11(6-4-10)13(20)21-2/h3-7H,8H2,1-2H3
InChIKey
OJAXUQOQCGWPDG-UHFFFAOYSA-N
Synonyms

4(5METHYL3TRIFLUOROMETHYLPYRAZOL1YLMETHYL)BENZOICACIDMETHYLESTER
CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)OC)C(F)(F)F
COC(=O)c1ccc(cc1)Cn1nc(cc1C)C(F)(F)F
InChI=1SC14H13F3N2O2c19712(14(1516)17)1819(9)8103511(6410)13(20)212h37H8H212H3
METHYL4((5METHYL3(TRIFLUOROMETHYL)1HPYRAZOL1YL)METHYL)BENZOATE
METHYL4((5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)METHYL)BENZOATE
MFCD03720497
STK094719
ZINC000000463582
ZINC00463582
ZINC463582

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Available files

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