Vitas-M small molecule compound
N-benzyl-2-{[3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Catalog ID
STK826751
SMILES N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)CC1c1cc(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 C21H17Br2N3O3S MW 551.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Br2N3O3S/c22-16-6-13(7-17(23)20(16)29)14-8-18(27)26-21(15(14)9-24)30-11-19(28)25-10-12-4-2-1-3-5-12/h1-7,14,29H,8,10-11H2,(H,25,28)(H,26,27)InChIKey
PIAZGIFRESAEJA-UHFFFAOYSA-NSynonyms
C1C(C(=C(NC1=O)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC(=C(C(=C3)Br)O)Br
InChI=1SC21H17Br2N3O3Sc2216613(717(23)20(16)29)14818(27)2621(15(14)924)301119(28)2510124213512h171429H81011H2(H2528)(H2627)
MFCD10086686
Nbenzyl2((3cyano4(35dibromo4hydroxyphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetamide
Nbenzyl2((5cyano4(35dibromo4hydroxyphenyl)2oxo34dihydro1Hpyridin6yl)sulfanyl)acetamide
ZINC000102808400
ZINC000102808402
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