Vitas-M small molecule compound
2-[(4-chlorobenzyl)sulfanyl]-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK544336
SMILES N#CC1=C(SCc2ccc(cc2)Cl)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/c24-14-9-7-13(8-10-14)12-30-23-16(11-27)20(15-3-1-4-17(25)22(15)26)21-18(28-23)5-2-6-19(21)29/h1,3-4,7-10,20,28H,2,5-6,12H2InChIKey
YPQUVIHTCAVRIW-UHFFFAOYSA-NSynonyms
500270-28-02((4chlorobenzyl)sulfanyl)4(23dichlorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2((4chlorobenzyl)thio)4(23dichlorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2((4chlorophenyl)methylsulfanyl)4(23dichlorophenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
500270280
C1CC2=C(C(C(=C(N2)SCC3=CC=C(C=C3)Cl)C#N)C4=C(C(=CC=C4)Cl)Cl)C(=O)C1
InChI=1SC23H17Cl3N2OSc24149713(81014)12302316(1127)20(1531417(25)22(15)26)2118(2823)52619(21)29h1347102028H25612H2
MFCD03299843
ZINC000002327843
ZINC000002327846
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