Vitas-M small molecule compound

2-[(2-chlorobenzyl)sulfanyl]-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK842052
SMILES N#CC1=C(SCc2ccccc2Cl)NC2=C(C1c1cccc(c1Cl)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 C23H17Cl3N2OS MW 475.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17Cl3N2OS/c24-16-7-2-1-5-13(16)12-30-23-15(11-27)20(14-6-3-8-17(25)22(14)26)21-18(28-23)9-4-10-19(21)29/h1-3,5-8,20,28H,4,9-10,12H2
InChIKey
RVKFXIOELFLXNU-UHFFFAOYSA-N
Synonyms
497078-30-5
2((2chlorobenzyl)sulfanyl)4(23dichlorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2((2chlorobenzyl)thio)4(23dichlorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2((2chlorophenyl)methylsulfanyl)4(23dichlorophenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
497078305
C1CC2=C(C(C(=C(N2)SCC3=CC=CC=C3Cl)C#N)C4=C(C(=CC=C4)Cl)Cl)C(=O)C1
InChI=1SC23H17Cl3N2OSc2416721513(16)12302315(1127)20(1463817(25)22(14)26)2118(2823)941019(21)29h13582028H491012H2
MFCD03299393
ZINC000013174797
ZINC000013174798

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Available files

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