Vitas-M small molecule compound
benzyl {[4-(1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK538049
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccc2c(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 C22H18N2O5S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O5S/c23-10-17-16(15-6-7-18-19(8-15)29-13-28-18)9-20(25)24-22(17)30-12-21(26)27-11-14-4-2-1-3-5-14/h1-8,16H,9,11-13H2,(H,24,25)InChIKey
HFHOYWWHGURJAL-UHFFFAOYSA-NSynonyms
370849-36-8370849368
benzyl((4(13benzodioxol5yl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
BENZYL2((4(13BENZODIOXOL5YL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
benzyl2((4(benzo(d)(13)dioxol5yl)3cyano6oxo1456tetrahydropyridin2yl)thio)acetate
C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC4=C(C=C3)OCO4
InChI=1SC22H18N2O5Sc23101716(15671819(815)29132818)920(25)2422(17)301221(26)2711144213514h1816H91113H2(H2425)
MFCD02999482
ZINC000009110242
ZINC000009110243
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