Vitas-M small molecule compound
benzyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate
Catalog ID
STK748028
SMILES N#Cc1cc(C(=O)C)c(nc1SCC(=O)OCc1ccccc1)C
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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 C18H16N2O3S MW 340.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O3S/c1-12-16(13(2)21)8-15(9-19)18(20-12)24-11-17(22)23-10-14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3InChIKey
KPXCNJCJBSCDPD-UHFFFAOYSA-NSynonyms
339187-58-5(5ACETYL3CYANO6METHYLPYRIDIN2YLSULFANYL)ACETICACIDBENZYLESTER
339187585
benzyl((5acetyl3cyano6methylpyridin2yl)sulfanyl)acetate
benzyl2((5acetyl3cyano6methylpyridin2yl)thio)acetate
BENZYL2(5ACETYL3CYANO6METHYLPYRIDIN2YL)SULFANYLACETATE
CC1=C(C=C(C(=N1)SCC(=O)OCC2=CC=CC=C2)C#N)C(=O)C
InChI=1SC18H16N2O3Sc11216(13(2)21)815(919)18(2012)241117(22)2310146435714h38H1011H212H3
MFCD00742746
PHENYLMETHYL2(5ACETYL3CYANO6METHYL2PYRIDYLTHIO)ACETATE
ZINC000000050050
ZINC00050050
ZINC50050
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