Vitas-M small molecule compound

propyl {[4-(1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

Catalog ID
STK887378
SMILES CCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc2c(c1)OCO2

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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 C18H18N2O5S MW 374.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5S/c1-2-5-23-17(22)9-26-18-13(8-19)12(7-16(21)20-18)11-3-4-14-15(6-11)25-10-24-14/h3-4,6,12H,2,5,7,9-10H2,1H3,(H,20,21)
InChIKey
RWGOAGLMOINBFW-UHFFFAOYSA-N
Synonyms
384359-19-7
MFCD03001089
propyl((4(13benzodioxol5yl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
PROPYL2((4(13BENZODIOXOL5YL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
propyl2((4(benzo(d)(13)dioxol5yl)3cyano6oxo1456tetrahydropyridin2yl)thio)acetate

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.