Vitas-M small molecule compound
ethyl {[3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK553508
SMILES CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1cc(Br)c(c(c1)Br)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 C16H14Br2N2O4S MW 490.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14Br2N2O4S/c1-2-24-14(22)7-25-16-10(6-19)9(5-13(21)20-16)8-3-11(17)15(23)12(18)4-8/h3-4,9,23H,2,5,7H2,1H3,(H,20,21)InChIKey
RWUGHSAOGYAZIS-UHFFFAOYSA-NSynonyms
796881-43-1796881431
CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=C(C(=C2)Br)O)Br)C#N
ethyl((3cyano4(35dibromo4hydroxyphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
ethyl2((3cyano4(35dibromo4hydroxyphenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
ETHYL2((5CYANO4(35DIBROMO4HYDROXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
InChI=1SC16H14Br2N2O4Sc122414(22)7251610(619)9(513(21)2016)8311(17)15(23)12(18)48h34923H257H21H3(H2021)
MFCD03670596
ZINC000090506807
ZINC000090506808
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