Vitas-M small molecule compound
2-(benzylsulfanyl)-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK826189
SMILES N#CC1=C(SCc2ccccc2)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 C24H22N2OS MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2OS/c1-16-10-12-18(13-11-16)22-19(14-25)24(28-15-17-6-3-2-4-7-17)26-20-8-5-9-21(27)23(20)22/h2-4,6-7,10-13,22,26H,5,8-9,15H2,1H3InChIKey
KDKPIUYQYKQFPY-UHFFFAOYSA-NSynonyms
488840-26-22(benzylsulfanyl)4(4methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2(benzylthio)5oxo4(ptolyl)145678hexahydroquinoline3carbonitrile
2benzylsulfanyl4(4methylphenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
488840262
CC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4)C#N
InChI=1SC24H22N2OSc116101218(131116)2219(1425)24(2815176324717)262085921(27)23(20)22h246710132226H58915H21H3
MFCD03294201
ZINC000001144459
ZINC000001144461
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