Vitas-M small molecule compound
2-(benzylsulfanyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK895571
SMILES N#CC1=C(SCc2ccccc2)NC2=C(C1c1cccs1)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 C21H18N2OS2 MW 378.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2OS2/c22-12-15-19(18-10-5-11-25-18)20-16(8-4-9-17(20)24)23-21(15)26-13-14-6-2-1-3-7-14/h1-3,5-7,10-11,19,23H,4,8-9,13H2InChIKey
MPNQBJGVDZIWSQ-UHFFFAOYSA-NSynonyms
900297-85-02(benzylsulfanyl)5oxo4(thiophen2yl)145678hexahydroquinoline3carbonitrile
2(benzylthio)5oxo4(thiophen2yl)145678hexahydroquinoline3carbonitrile
2benzylsulfanyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carbonitrile
900297850
C1CC2=C(C(C(=C(N2)SCC3=CC=CC=C3)C#N)C4=CC=CS4)C(=O)C1
InChI=1SC21H18N2OS2c22121519(18105112518)2016(84917(20)24)2321(15)2613146213714h135710111923H48913H2
MFCD06770859
ZINC000020348168
ZINC000020348170
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