Vitas-M small molecule compound
2-[(2-chlorobenzyl)sulfanyl]-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK166802
SMILES N#CC1=C(SCc2ccccc2Cl)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)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 C26H25ClN2O4S MW 497.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O4S/c1-31-21-11-16(12-22(32-2)25(21)33-3)23-17(13-28)26(29-19-9-6-10-20(30)24(19)23)34-14-15-7-4-5-8-18(15)27/h4-5,7-8,11-12,23,29H,6,9-10,14H2,1-3H3InChIKey
BWGWFFYKNKWXKT-UHFFFAOYSA-NSynonyms
488862-24-42((2chlorobenzyl)sulfanyl)5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2((2chlorobenzyl)thio)5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2((2chlorophenyl)methylsulfanyl)5oxo4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carbonitrile
488862244
COC1=CC(=CC(=C1OC)OC)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4Cl)C#N
InChI=1SC26H25ClN2O4Sc131211116(1222(322)25(21)333)2317(1328)26(2919961020(30)24(19)23)341415745818(15)27h457811122329H691014H213H3
MFCD03295417
ZINC000100863103
ZINC000100863105
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