Vitas-M small molecule compound
(4-tert-butylphenyl)[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]methanone
Catalog ID
STK086957
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)c1ccc(cc1)C(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 C20H25F3N2O2 MW 382.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25F3N2O2/c1-18(2,3)14-11-9-13(10-12-14)17(26)25-19(27,20(21,22)23)15-7-5-4-6-8-16(15)24-25/h9-12,15,27H,4-8H2,1-3H3InChIKey
OHLBUEFLBNSUHL-UHFFFAOYSA-NSynonyms
(4tertbutylphenyl)(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)methanone(4tertbutylphenyl)(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2yl)methanone
CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(C3CCCCCC3=N2)(C(F)(F)F)O
O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)c1ccc(cc1)C(C)(C)C
Registry IDs
MFCD02277038ZINC000004673050
ZINC000004673054
Check stock
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Check stock on Vitas-MAvailable files
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