Vitas-M small molecule compound
4-(4-hydroxy-3-methoxyphenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK885593
SMILES CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(c(c1)OC)O
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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 C18H18N2O3S MW 342.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O3S/c1-23-15-8-10(6-7-13(15)21)16-11(9-19)18(24-2)20-12-4-3-5-14(22)17(12)16/h6-8,16,20-21H,3-5H2,1-2H3InChIKey
GNFSYWLSJRQLFR-UHFFFAOYSA-NSynonyms
488747-08-64(4hydroxy3methoxyphenyl)2(methylsulfanyl)5oxo145678hexahydroquinoline3carbonitrile
4(4hydroxy3methoxyphenyl)2(methylthio)5oxo145678hexahydroquinoline3carbonitrile
4(4hydroxy3methoxyphenyl)2methylsulfanyl5oxo4678tetrahydro1Hquinoline3carbonitrile
488747086
COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SC)C#N)O
InChI=1SC18H18N2O3Sc12315810(6713(15)21)1611(919)18(242)201243514(22)17(12)16h68162021H35H212H3
MFCD03292440
ZINC000020065970
ZINC000020065972
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