Vitas-M small molecule compound

1-[5-tert-butyl-3-(heptafluoropropyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone

Catalog ID
STK034785
SMILES O=C(N1N=C(CC1(O)C(C)(C)C)C(C(C(F)(F)F)(F)F)(F)F)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 C21H25F7N2O3 MW 486.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25F7N2O3/c1-11-7-12(2)16(13(3)8-11)33-10-15(31)30-18(32,17(4,5)6)9-14(29-30)19(22,23)20(24,25)21(26,27)28/h7-8,32H,9-10H2,1-6H3
InChIKey
SGXKMGIXNCMFPM-UHFFFAOYSA-N
Synonyms

1(5tertbutyl3(1122333heptafluoropropyl)5hydroxy4Hpyrazol1yl)2(246trimethylphenoxy)ethanone
1(5TERTBUTYL3(HEPTAFLUOROPROPYL)5HYDROXY45DIHYDRO1HPYRAZOL1YL)2(246TRIMETHYLPHENOXY)ETHANONE
CC1=CC(=C(C(=C1)C)OCC(=O)N2C(CC(=N2)C(C(C(F)(F)F)(F)F)(F)F)(C(C)(C)C)O)C
InChI=1SC21H25F7N2O3c111712(2)16(13(3)811)331015(31)3018(3217(45)6)914(2930)19(2223)20(2425)21(2627)28h7832H910H216H3
MFCD08050425
O=C(N1N=C(CC1(O)C(C)(C)C)C(C(C(F)(F)F)(F)F)(F)F)COc1c(C)cc(cc1C)C
STK034785
ZINC000013941897
ZINC000013941898

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Available files

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