Vitas-M small molecule compound

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

Catalog ID
STK755699
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CCC2)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 C23H16ClF3N4O3 MW 488.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClF3N4O3/c24-16-8-7-13(23(25,26)27)10-18(16)30-17-5-2-6-19(32)21(17)20(15(11-28)22(30)29)12-3-1-4-14(9-12)31(33)34/h1,3-4,7-10,20H,2,5-6,29H2
InChIKey
LHVRPUGAYUAZIP-UHFFFAOYSA-N
Synonyms
311773-55-4
2amino1(2chloro5(trifluoromethyl)phenyl)4(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(2chloro5(trifluoromethyl)phenyl)4(3nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
311773554
C1CC2=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
InChI=1SC23H16ClF3N4O3c24168713(23(2526)27)1018(16)301752619(32)21(17)20(15(1128)22(30)29)1231414(912)31(33)34h13471020H25629H2
MFCD01113538
N#CC1=C(N)N(C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CCC2)c1cc(ccc1Cl)C(F)(F)F
ZINC000000713577
ZINC000000713578

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Available files

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