Vitas-M small molecule compound

1-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone

Catalog ID
STK010495
SMILES CCCCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)COc1c(C)cc(cc1C)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 C21H29F3N2O3 MW 414.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29F3N2O3/c1-5-6-7-8-9-17-12-20(28,21(22,23)24)26(25-17)18(27)13-29-19-15(3)10-14(2)11-16(19)4/h10-11,28H,5-9,12-13H2,1-4H3
InChIKey
FXCXWJMCYOWVME-UHFFFAOYSA-N
Synonyms

1(3HEXYL5HYDROXY5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL1YL)2(246TRIMETHYLPHENOXY)ETHANONE
1(3HEXYL5HYDROXY5(TRIFLUOROMETHYL)4HPYRAZOL1YL)2(246TRIMETHYLPHENOXY)ETHANONE
3HEXYL5(TRIFLUOROMETHYL)1((246TRIMETHYLPHENOXY)ACETYL)45DIHYDRO1HPYRAZOL5OL
CCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)COC2=C(C=C(C=C2C)C)C
CCCCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)COc1c(C)cc(cc1C)C
InChI=1SC21H29F3N2O3c156789171220(2821(2223)24)26(2517)18(27)13291915(3)1014(2)1116(19)4h101128H591213H214H3
MFCD08049373
STK010495
ZINC000004551184
ZINC000004551185

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Available files

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