Vitas-M small molecule compound
2-(benzylsulfanyl)-4-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK725905
SMILES N#CC1=C(SCc2ccccc2)NC2=C(C1c1ccc(cc1)Cl)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 C23H19ClN2OS MW 406.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN2OS/c24-17-11-9-16(10-12-17)21-18(13-25)23(28-14-15-5-2-1-3-6-15)26-19-7-4-8-20(27)22(19)21/h1-3,5-6,9-12,21,26H,4,7-8,14H2InChIKey
DQHPQQCGYOZJJY-UHFFFAOYSA-NSynonyms
309732-08-92(benzylsulfanyl)4(4chlorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2(benzylthio)4(4chlorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2benzylsulfanyl4(4chlorophenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
309732089
C1CC2=C(C(C(=C(N2)SCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl)C(=O)C1
InChI=1SC23H19ClN2OSc241711916(101217)2118(1325)23(2814155213615)261974820(27)22(19)21h13569122126H47814H2
MFCD02110347
ZINC000008462331
ZINC000019913138
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