Vitas-M small molecule compound

ethyl 3-(trifluoromethyl)-1H-pyrazole-5-carboxylate

Catalog ID
STK351591
SMILES CCOC(=O)c1[nH]nc(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 C7H7F3N2O2 MW 208.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-5(12-11-4)7(8,9)10/h3H,2H2,1H3,(H,11,12)
InChIKey
AKFFNTKRAYWFRN-UHFFFAOYSA-N
Synonyms
129768-30-5
129768305
1HPYRAZOLE3CARBOXYLICACID5(TRIFLUOROMETHYL)ETHYLESTER
3(TRIFLUOROMETHYL)1HPYRAZOLE5CARBOXYLICACIDETHYLESTER
5(TRIFLUOROMETHYL)1HPYRAZOLE3CARBOXYLICACIDETHYLESTER
5(TRIFLUOROMETHYL)2HPYRAZOLE3CARBOXYLICACIDETHYLESTER
5TRIFLUOROMETHYL1HPYRAZOLE3CARBOXYLICACIDETHYLESTER
5TRIFLUOROMETHYL2HPYRAZOLE3CARBOXYLICACIDETHYLESTER
CCOC(=O)c1(nH)nc(c1)C(F)(F)F
CCOC(=O)C1=NNC(=C1)C(F)(F)F
ethyl3(trifluoromethyl)1Hpyrazole5carboxylate
ETHYL3(TRIFLUOROMETHYL)PYRAZOLE5CARBOXYLATE
ETHYL5(TRIFLUOROMETHYL)1HPYRAZOLE3CARBOXYLATE
ETHYL5(TRIFLUOROMETHYL)2HPYRAZOLE3CARBOXYLATE
InChI=1SC7H7F3N2O2c12146(13)435(12114)7(89)10h3H2H21H3(H1112)
MFCD04111238
ZINC000000077581
ZINC00077581
ZINC77581

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Available files

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