Vitas-M small molecule compound
2-(benzylsulfanyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK036830
SMILES N#CC1=C(SCc2ccccc2)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 C26H26N2O4S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O4S/c1-30-21-12-17(13-22(31-2)25(21)32-3)23-18(14-27)26(33-15-16-8-5-4-6-9-16)28-19-10-7-11-20(29)24(19)23/h4-6,8-9,12-13,23,28H,7,10-11,15H2,1-3H3InChIKey
RUYFJRRDKVULKZ-UHFFFAOYSA-NSynonyms
488136-76-12(benzylsulfanyl)5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2(benzylthio)5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2benzylsulfanyl5oxo4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carbonitrile
488136761
COC1=CC(=CC(=C1OC)OC)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4)C#N
InChI=1SC26H26N2O4Sc130211217(1322(312)25(21)323)2318(1427)26(3315168546916)28191071120(29)24(19)23h468912132328H7101115H213H3
MFCD03290294
N#CC1=C(SCc2ccccc2)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CCC2
STK036830
ZINC000001476128
ZINC000001476129
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