Vitas-M small molecule compound
3-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STK009292
SMILES O=C1C=C(Nc2ccc(c(c2)C(F)(F)F)Cl)CC(C1)(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 C15H15ClF3NO MW 317.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15ClF3NO/c1-14(2)7-10(5-11(21)8-14)20-9-3-4-13(16)12(6-9)15(17,18)19/h3-6,20H,7-8H2,1-2H3InChIKey
XHTVZUKBBRRNAN-UHFFFAOYSA-NSynonyms
3((4CHLORO3(TRIFLUOROMETHYL)PHENYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
3(4CHLORO3(TRIFLUOROMETHYL)ANILINO)55DIMETHYLCYCLOHEX2EN1ONE
CC1(CC(=CC(=O)C1)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C
InChI=1SC15H15ClF3NOc114(2)710(511(21)814)2093413(16)12(69)15(1718)19h3620H78H212H3
MFCD03160724
O=C1C=C(Nc2ccc(c(c2)C(F)(F)F)Cl)CC(C1)(C)C
STK009292
ZINC000004550994
ZINC04550994
ZINC4550994
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