Vitas-M small molecule compound
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754900
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)[N+](=O)[O-])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 C25H20ClF3N4O3 MW 516.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClF3N4O3/c1-24(2)10-19-22(20(34)11-24)21(13-4-3-5-15(8-13)33(35)36)16(12-30)23(31)32(19)18-9-14(25(27,28)29)6-7-17(18)26/h3-9,21H,10-11,31H2,1-2H3InChIKey
IGFPYMZKUOGOHT-UHFFFAOYSA-NSynonyms
2amino1(2chloro5(trifluoromethyl)phenyl)77dimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(2CHLORO5(TRIFLUOROMETHYL)PHENYL)77DIMETHYL4(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N)C#N)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC25H20ClF3N4O3c124(2)101922(20(34)1124)21(1343515(813)33(35)36)16(1230)23(31)32(19)18914(25(2728)29)6717(18)26h3921H101131H212H3
MFCD00826917
N#CC1=C(N)N(C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1cc(ccc1Cl)C(F)(F)F
ZINC000002187783
ZINC000002187784
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