Vitas-M small molecule compound
4-(4-methylphenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK885801
SMILES CSC1=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 C18H18N2OS MW 310.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2OS/c1-11-6-8-12(9-7-11)16-13(10-19)18(22-2)20-14-4-3-5-15(21)17(14)16/h6-9,16,20H,3-5H2,1-2H3InChIKey
PVZPWCWIMKDEEN-UHFFFAOYSA-NSynonyms
488107-37-52(methylthio)5oxo4(ptolyl)145678hexahydroquinoline3carbonitrile
4(4methylphenyl)2(methylsulfanyl)5oxo145678hexahydroquinoline3carbonitrile
4(4methylphenyl)2methylsulfanyl5oxo4678tetrahydro1Hquinoline3carbonitrile
488107375
CC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SC)C#N
InChI=1SC18H18N2OSc1116812(9711)1613(1019)18(222)201443515(21)17(14)16h691620H35H212H3
MFCD03288830
ZINC000020064725
ZINC000020064727
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