Vitas-M small molecule compound
[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl](phenyl)methanone
Catalog ID
STK794747
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)c1ccccc1
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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 C16H17F3N2O2 MW 326.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F3N2O2/c17-16(18,19)15(23)12-9-5-2-6-10-13(12)20-21(15)14(22)11-7-3-1-4-8-11/h1,3-4,7-8,12,23H,2,5-6,9-10H2InChIKey
UHCAROJGZXBMAL-UHFFFAOYSA-NSynonyms
(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)(phenyl)methanone
(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2yl)phenylmethanone
C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)C3=CC=CC=C3)CC1
InChI=1SC16H17F3N2O2c1716(1819)15(23)1295261013(12)2021(15)14(22)117314811h134781223H256910H2
MFCD01459960
ZINC000000052083
ZINC000000052086
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