Vitas-M small molecule compound
2-amino-1-(3-chloro-2-methylphenyl)-4-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754902
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)Cl)C(=O)CCC2)c1cccc(c1C)Cl
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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 C23H19Cl2N3O MW 424.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19Cl2N3O/c1-13-17(25)4-2-5-18(13)28-19-6-3-7-20(29)22(19)21(16(12-26)23(28)27)14-8-10-15(24)11-9-14/h2,4-5,8-11,21H,3,6-7,27H2,1H3InChIKey
LTNFTJNMUKDULU-UHFFFAOYSA-NSynonyms
2amino1(3chloro2methylphenyl)4(4chlorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3chloro2methylphenyl)4(4chlorophenyl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)Cl)C(=O)CCC3
InChI=1SC23H19Cl2N3Oc11317(25)42518(13)281963720(29)22(19)21(16(1226)23(28)27)1481015(24)11914h24581121H36727H21H3
MFCD00826919
ZINC000000713497
ZINC000000713498
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