Vitas-M small molecule compound

1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-methylphenoxy)ethanone

Catalog ID
STK191504
SMILES CC1=NN(C(C1)(O)C(F)(F)F)C(=O)COc1ccccc1C

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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 C14H15F3N2O3 MW 316.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15F3N2O3/c1-9-5-3-4-6-11(9)22-8-12(20)19-13(21,14(15,16)17)7-10(2)18-19/h3-6,21H,7-8H2,1-2H3
InChIKey
TVOXCFCWYRHFJW-UHFFFAOYSA-N
Synonyms

1(5HYDROXY3METHYL5(TRIFLUOROMETHYL)(2PYRAZOLINYL))2(2METHYLPHENOXY)ETHAN1ONE
1(5HYDROXY3METHYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL1YL)2(2METHYLPHENOXY)ETHANONE
1(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)2(2METHYLPHENOXY)ETHANONE
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)COC2=CC=CC=C2C
InChI=1SC14H15F3N2O3c19534611(9)22812(20)1913(2114(1516)17)710(2)1819h3621H78H212H3
MFCD02738010
ZINC000000302611
ZINC000000302612

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Available files

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