Vitas-M small molecule compound

4-(1,3-benzodioxol-5-yl)-2-(benzylsulfanyl)-5-oxo-4,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK563209
SMILES N#CC1=C(SCc2ccccc2)N=C2C(C1c1ccc3c(c1)OCO3)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 C24H20N2O3S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O3S/c25-12-17-22(16-9-10-20-21(11-16)29-14-28-20)23-18(7-4-8-19(23)27)26-24(17)30-13-15-5-2-1-3-6-15/h1-3,5-6,9-11,22-23H,4,7-8,13-14H2
InChIKey
ULRKMVSWNYQFTE-UHFFFAOYSA-N
Synonyms

4(13benzodioxol5yl)2(benzylsulfanyl)5oxo44a5678hexahydroquinoline3carbonitrile
4(13BENZODIOXOL5YL)2BENZYLSULFANYL5OXO4A678TETRAHYDRO4HQUINOLINE3CARBONITRILE
C1CC2=NC(=C(C(C2C(=O)C1)C3=CC4=C(C=C3)OCO4)C#N)SCC5=CC=CC=C5
InChI=1SC24H20N2O3Sc25121722(169102021(1116)29142820)2318(74819(23)27)2624(17)3013155213615h13569112223H4781314H2
MFCD03814932
ZINC000001252676
ZINC000006499196

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Available files

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