Vitas-M small molecule compound
2-(benzylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK841284
SMILES N#CC1=C(SCc2ccccc2)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 C24H22N2O3S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O3S/c1-29-21-12-16(10-11-19(21)27)22-17(13-25)24(30-14-15-6-3-2-4-7-15)26-18-8-5-9-20(28)23(18)22/h2-4,6-7,10-12,22,26-27H,5,8-9,14H2,1H3InChIKey
WHPCBRKNLAPQOY-UHFFFAOYSA-NSynonyms
488118-82-72(benzylsulfanyl)4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2(benzylthio)4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2benzylsulfanyl4(4hydroxy3methoxyphenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
488118827
COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4)C#N)O
InChI=1SC24H22N2O3Sc129211216(101119(21)27)2217(1325)24(3014156324715)261885920(28)23(18)22h24671012222627H58914H21H3
MFCD03289228
ZINC000001143045
ZINC000001143047
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