Vitas-M small molecule compound
2-amino-4-(5-bromothiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK672922
SMILES N#CC1=C(N)N(c2cc(ccc2Cl)C(F)(F)F)C2=C(C1c1ccc(s1)Br)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 C23H18BrClF3N3OS MW 556.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrClF3N3OS/c1-22(2)8-15-20(16(32)9-22)19(17-5-6-18(24)33-17)12(10-29)21(30)31(15)14-7-11(23(26,27)28)3-4-13(14)25/h3-7,19H,8-9,30H2,1-2H3InChIKey
WXCNYJBUSDVALK-UHFFFAOYSA-NSynonyms
2amino4(5bromothiophen2yl)1(2chloro5(trifluoromethyl)phenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(5BROMOTHIOPHEN2YL)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(S4)Br)C(=O)C1)C
InChI=1SC23H18BrClF3N3OSc122(2)81520(16(32)922)19(175618(24)3317)12(1029)21(30)31(15)14711(23(2627)28)3413(14)25h3719H8930H212H3
MFCD00826921
ZINC000002187788
ZINC000002187789
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