Vitas-M small molecule compound
2-amino-1-(4-fluoro-3-nitrophenyl)-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL173018
SMILES N#CC1=C(N)N(c2ccc(c(c2)[N+](=O)[O-])F)C2=C(C1c1ccc(cc1)C(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 C23H16F4N4O3 MW 472.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16F4N4O3/c24-16-9-8-14(10-18(16)31(33)34)30-17-2-1-3-19(32)21(17)20(15(11-28)22(30)29)12-4-6-13(7-5-12)23(25,26)27/h4-10,20H,1-3,29H2InChIKey
KTUDEENZQLNLAY-UHFFFAOYSA-NSynonyms
515151-52-72amino1(4fluoro3nitrophenyl)5oxo4(4(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino1(4fluoro3nitrophenyl)5oxo4(4(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
515151527
C1CC2=C(C(C(=C(N2C3=CC(=C(C=C3)F)(N+)(=O)(O))N)C#N)C4=CC=C(C=C4)C(F)(F)F)C(=O)C1
InChI=1SC23H16F4N4O3c24169814(1018(16)31(33)34)301721319(32)21(17)20(15(1128)22(30)29)124613(7512)23(2526)27h41020H1329H2
MFCD03758454
N#CC1=C(N)N(c2ccc(c(c2)(N+)(=O)(O))F)C2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CCC2
ZINC000000695920
ZINC000000695921
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