Vitas-M small molecule compound
2-{[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Catalog ID
STK725937
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C)NC(=O)CC1c1cc(Br)c(c(c1)OC)O
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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 C22H20BrN3O4S MW 502.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O4S/c1-12-5-3-4-6-17(12)25-20(28)11-31-22-15(10-24)14(9-19(27)26-22)13-7-16(23)21(29)18(8-13)30-2/h3-8,14,29H,9,11H2,1-2H3,(H,25,28)(H,26,27)InChIKey
DPSURRFXMDWTCG-UHFFFAOYSA-NSynonyms
2((4(3bromo4hydroxy5methoxyphenyl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)N(2methylphenyl)acetamide
2((4(3bromo4hydroxy5methoxyphenyl)3cyano6oxo1456tetrahydropyridin2yl)thio)N(otolyl)acetamide
2((4(3BROMO4HYDROXY5METHOXYPHENYL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)N(2METHYLPHENYL)ACETAMIDE
CC1=CC=CC=C1NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=C(C(=C3)Br)O)OC)C#N
InChI=1SC22H20BrN3O4Sc112534617(12)2520(28)11312215(1024)14(919(27)2622)13716(23)21(29)18(813)302h381429H911H212H3(H2528)(H2627)
MFCD02110349
ZINC000001244346
ZINC000001244347
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