Vitas-M small molecule compound
ethyl {[4-(1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK887377
SMILES CCOC(=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 C17H16N2O5S MW 360.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5S/c1-2-22-16(21)8-25-17-12(7-18)11(6-15(20)19-17)10-3-4-13-14(5-10)24-9-23-13/h3-5,11H,2,6,8-9H2,1H3,(H,19,20)InChIKey
HYKCKLPIKAOILX-UHFFFAOYSA-NSynonyms
383892-98-6383892986
CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC3=C(C=C2)OCO3)C#N
ethyl((4(13benzodioxol5yl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
ethyl2((4(benzo(d)(13)dioxol5yl)3cyano6oxo1456tetrahydropyridin2yl)thio)acetate
InChI=1SC17H16N2O5Sc122216(21)8251712(718)11(615(20)1917)10341314(510)2492313h3511H2689H21H3(H1920)
MFCD03000549
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