Vitas-M small molecule compound

1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethanone

Catalog ID
STK795656
SMILES Cc1ccc(c(c1)OCC(=O)N1N=C2C(C1(O)C(F)(F)F)CCCCC2)C(C)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 C21H27F3N2O3 MW 412.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27F3N2O3/c1-13(2)15-10-9-14(3)11-18(15)29-12-19(27)26-20(28,21(22,23)24)16-7-5-4-6-8-17(16)25-26/h9-11,13,16,28H,4-8,12H2,1-3H3
InChIKey
JFOGMNFBZIQMFT-UHFFFAOYSA-N
Synonyms
370846-39-2
1(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)2(2isopropyl5methylphenoxy)ethanone
1(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)2(5methyl2(propan2yl)phenoxy)ethanone
1(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2yl)2(5methyl2propan2ylphenoxy)ethanone
370846392
CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2C(C3CCCCCC3=N2)(C(F)(F)F)O
InChI=1SC21H27F3N2O3c113(2)1510914(3)1118(15)291219(27)2620(2821(2223)24)167546817(16)2526h911131628H4812H213H3
MFCD02999398
ZINC000001101564
ZINC000001101567

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Available files

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