Vitas-M small molecule compound
2-amino-4-(4-bromophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK673304
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(C)C)c1cc(ccc1Cl)C(F)(F)F
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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 C25H20BrClF3N3O MW 550.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrClF3N3O/c1-24(2)10-19-22(20(34)11-24)21(13-3-6-15(26)7-4-13)16(12-31)23(32)33(19)18-9-14(25(28,29)30)5-8-17(18)27/h3-9,21H,10-11,32H2,1-2H3InChIKey
GWHZBUUNRGWPHR-UHFFFAOYSA-NSynonyms
2amino4(4bromophenyl)1(2chloro5(trifluoromethyl)phenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4BROMOPHENYL)1(2CHLORO5(TRIFLUOROMETHYL)PHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N)C#N)C4=CC=C(C=C4)Br)C(=O)C1)C
InChI=1SC25H20BrClF3N3Oc124(2)101922(20(34)1124)21(133615(26)7413)16(1231)23(32)33(19)18914(25(2829)30)5817(18)27h3921H101132H212H3
MFCD01113830
ZINC000003663482
ZINC000003663483
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