Vitas-M small molecule compound
2-(butylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK826842
SMILES CCCCSC1=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 C21H24N2O3S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3S/c1-3-4-10-27-21-14(12-22)19(13-8-9-16(24)18(11-13)26-2)20-15(23-21)6-5-7-17(20)25/h8-9,11,19,23-24H,3-7,10H2,1-2H3InChIKey
XGSLVADBKLYZSL-UHFFFAOYSA-NSynonyms
488120-08-72(butylsulfanyl)4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2(butylthio)4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2butylsulfanyl4(4hydroxy3methoxyphenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
488120087
CCCCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)O)OC)C#N
InChI=1SC21H24N2O3Sc13410272114(1222)19(138916(24)18(1113)262)2015(2321)65717(20)25h8911192324H3710H212H3
MFCD03289330
ZINC000013284559
ZINC000013284560
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