Vitas-M small molecule compound

2-amino-1-(3-nitrophenyl)-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK316499
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccccc1C(F)(F)F)C(=O)CCC2

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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 C23H17F3N4O3 MW 454.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17F3N4O3/c24-23(25,26)17-8-2-1-7-15(17)20-16(12-27)22(28)29(18-9-4-10-19(31)21(18)20)13-5-3-6-14(11-13)30(32)33/h1-3,5-8,11,20H,4,9-10,28H2
InChIKey
YPTNYPPRBRAMPD-UHFFFAOYSA-N
Synonyms
444932-72-3
2amino1(3nitrophenyl)5oxo4(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino1(3nitrophenyl)5oxo4(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
444932723
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC=CC=C4C(F)(F)F)C(=O)C1
InChI=1SC23H17F3N4O3c2423(2526)17821715(17)2016(1227)22(28)29(18941019(31)21(18)20)1353614(1113)30(32)33h13581120H491028H2
MFCD02606808
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccccc1C(F)(F)F)C(=O)CCC2
ZINC000001000005
ZINC000001000006

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Available files

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