Vitas-M small molecule compound

methyl 5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate

Catalog ID
STK045090
SMILES COC(=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 C7H9F3N2O3 MW 226.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H9F3N2O3/c1-4-3-6(14,7(8,9)10)12(11-4)5(13)15-2/h14H,3H2,1-2H3
InChIKey
KAYSVCLHYOBVFE-UHFFFAOYSA-N
Synonyms
443637-25-0
3METHYL5HYDROXY5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLICACIDMETHYLESTER
443637250
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)OC
COC(=O)N1N=C(CC1(O)C(F)(F)F)C
InChI=1SC7H9F3N2O3c1436(147(89)10)12(114)5(13)152h14H3H212H3
METHYL5HYDROXY3METHYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLATE
METHYL5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOLE1CARBOXYLATE
MFCD03724687
STK045090
ZINC000004559026
ZINC000004559027

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Available files

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