Vitas-M small molecule compound
2-[(4-chlorobenzyl)sulfanyl]-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK885555
SMILES N#CC1=C(SCc2ccc(cc2)Cl)NC2=C(C1c1ccc(cc1)C)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 C24H21ClN2OS MW 420.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2OS/c1-15-5-9-17(10-6-15)22-19(13-26)24(27-20-3-2-4-21(28)23(20)22)29-14-16-7-11-18(25)12-8-16/h5-12,22,27H,2-4,14H2,1H3InChIKey
WDFDPLLERNXRKT-UHFFFAOYSA-NSynonyms
500146-48-52((4chlorobenzyl)sulfanyl)4(4methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2((4chlorobenzyl)thio)5oxo4(ptolyl)145678hexahydroquinoline3carbonitrile
2((4chlorophenyl)methylsulfanyl)4(4methylphenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
500146485
CC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=C(C=C4)Cl)C#N
InChI=1SC24H21ClN2OSc1155917(10615)2219(1326)24(272032421(28)23(20)22)29141671118(25)12816h5122227H2414H21H3
MFCD03304582
ZINC000002359092
ZINC000002359093
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