Vitas-M small molecule compound
2-(methylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK840916
SMILES CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C(C)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 C20H22N2OS MW 338.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2OS/c1-12(2)13-7-9-14(10-8-13)18-15(11-21)20(24-3)22-16-5-4-6-17(23)19(16)18/h7-10,12,18,22H,4-6H2,1-3H3InChIKey
KSULAWQEAGVPNG-UHFFFAOYSA-NSynonyms
488108-27-62(methylsulfanyl)5oxo4(4(propan2yl)phenyl)145678hexahydroquinoline3carbonitrile
2methylsulfanyl5oxo4(4propan2ylphenyl)4678tetrahydro1Hquinoline3carbonitrile
4(4isopropylphenyl)2(methylthio)5oxo145678hexahydroquinoline3carbonitrile
488108276
CC(C)C1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SC)C#N
InChI=1SC20H22N2OSc112(2)137914(10813)1815(1121)20(243)221654617(23)19(16)18h710121822H46H213H3
MFCD03288920
ZINC000020064750
ZINC000020064752
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