Vitas-M small molecule compound
[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl](4-methoxyphenyl)methanone
Catalog ID
STK794748
SMILES COc1ccc(cc1)C(=O)N1N=C2C(C1(O)C(F)(F)F)CCCCC2
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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 C17H19F3N2O3 MW 356.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19F3N2O3/c1-25-12-9-7-11(8-10-12)15(23)22-16(24,17(18,19)20)13-5-3-2-4-6-14(13)21-22/h7-10,13,24H,2-6H2,1H3InChIKey
UDGSJIUMJGGUMU-UHFFFAOYSA-NSynonyms
(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)(4methoxyphenyl)methanone
(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2yl)(4methoxyphenyl)methanone
COC1=CC=C(C=C1)C(=O)N2C(C3CCCCCC3=N2)(C(F)(F)F)O
InChI=1SC17H19F3N2O3c125129711(81012)15(23)2216(2417(1819)20)135324614(13)2122h7101324H26H21H3
MFCD01459958
ZINC000000706704
ZINC000000706707
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