Vitas-M small molecule compound
2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Catalog ID
STK886684
SMILES CCOc1ccc(cc1)NC(=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 C23H21N3O5S MW 451.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5S/c1-2-29-16-6-4-15(5-7-16)25-22(28)12-32-23-18(11-24)17(10-21(27)26-23)14-3-8-19-20(9-14)31-13-30-19/h3-9,17H,2,10,12-13H2,1H3,(H,25,28)(H,26,27)InChIKey
ZUHSVHUZYLIAEF-UHFFFAOYSA-NSynonyms
383894-56-22((4(13benzodioxol5yl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)N(4ethoxyphenyl)acetamide
2((4(13BENZODIOXOL5YL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)N(4ETHOXYPHENYL)ACETAMIDE
2((4(benzo(d)(13)dioxol5yl)3cyano6oxo1456tetrahydropyridin2yl)thio)N(4ethoxyphenyl)acetamide
383894562
CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)C#N
InChI=1SC23H21N3O5Sc1229166415(5716)2522(28)12322318(1124)17(1021(27)2623)14381920(914)31133019h3917H2101213H21H3(H2528)(H2627)
MFCD03000671
ZINC000002312136
ZINC000008817606
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