Vitas-M small molecule compound
2-(butylsulfanyl)-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK841997
SMILES CCCCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C
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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 C21H24N2OS MW 352.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2OS/c1-3-4-12-25-21-16(13-22)19(15-10-8-14(2)9-11-15)20-17(23-21)6-5-7-18(20)24/h8-11,19,23H,3-7,12H2,1-2H3InChIKey
SKIDDHTXBKZZCB-UHFFFAOYSA-NSynonyms
498536-71-32(butylsulfanyl)4(4methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2(butylthio)5oxo4(ptolyl)145678hexahydroquinoline3carbonitrile
2butylsulfanyl4(4methylphenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
498536713
CCCCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C)C#N
InChI=1SC21H24N2OSc13412252116(1322)19(1510814(2)91115)2017(2321)65718(20)24h8111923H3712H212H3
MFCD03301729
ZINC000002348695
ZINC000002348698
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