Vitas-M small molecule compound
2-[(4-chlorobenzyl)sulfanyl]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK826237
SMILES N#CC1=C(SCc2ccc(cc2)Cl)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2
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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 C24H21ClN2O3S MW 452.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O3S/c1-30-21-11-15(7-10-19(21)28)22-17(12-26)24(27-18-3-2-4-20(29)23(18)22)31-13-14-5-8-16(25)9-6-14/h5-11,22,27-28H,2-4,13H2,1H3InChIKey
SGLUIYAWCXTSQE-UHFFFAOYSA-NSynonyms
488745-50-22((4chlorobenzyl)sulfanyl)4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2((4chlorobenzyl)thio)4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2((4chlorophenyl)methylsulfanyl)4(4hydroxy3methoxyphenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
488745502
COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=C(C=C4)Cl)C#N)O
InChI=1SC24H21ClN2O3Sc130211115(71019(21)28)2217(1226)24(271832420(29)23(18)22)3113145816(25)9614h511222728H2413H21H3
MFCD03292299
ZINC000002340239
ZINC000002340241
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