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-(3,4-dimethylphenyl)acetamide
Catalog ID
STK886686
SMILES N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-13-3-5-16(7-14(13)2)25-22(28)11-31-23-18(10-24)17(9-21(27)26-23)15-4-6-19-20(8-15)30-12-29-19/h3-8,17H,9,11-12H2,1-2H3,(H,25,28)(H,26,27)InChIKey
DCSBQDUOBRAFDR-UHFFFAOYSA-NSynonyms
369398-33-42((4(13benzodioxol5yl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)N(34dimethylphenyl)acetamide
2((4(13BENZODIOXOL5YL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)N(34DIMETHYLPHENYL)ACETAMIDE
2((4(benzo(d)(13)dioxol5yl)3cyano6oxo1456tetrahydropyridin2yl)thio)N(34dimethylphenyl)acetamide
369398334
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)C#N)C
InChI=1SC23H21N3O4Sc1133516(714(13)2)2522(28)11312318(1024)17(921(27)2623)15461920(815)30122919h3817H91112H212H3(H2528)(H2627)
MFCD03000438
ZINC000002311142
ZINC000002311143
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