Vitas-M small molecule compound
2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK363836
SMILES N#CC1=C(C)NC2=C(C1c1ccccc1C(F)(F)F)C(=O)CC(C2)(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 C20H19F3N2O MW 360.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N2O/c1-11-13(10-24)17(12-6-4-5-7-14(12)20(21,22)23)18-15(25-11)8-19(2,3)9-16(18)26/h4-7,17,25H,8-9H2,1-3H3InChIKey
LFZRFEDDTRUPRF-UHFFFAOYSA-NSynonyms
277trimethyl5oxo4(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
277trimethyl5oxo4(2(trifluoromethyl)phenyl)1468tetrahydroquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3C(F)(F)F)C#N
InChI=1SC20H19F3N2Oc11113(1024)17(12645714(12)20(2122)23)1815(2511)819(23)916(18)26h471725H89H213H3
MFCD01873354
ZINC000019774953
ZINC000019774955
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