Vitas-M small molecule compound
benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate
Catalog ID
STL352983
SMILES N#Cc1c(SCC(=O)OCc2ccccc2)[nH]c(=O)cc1C
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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 C16H14N2O3S MW 314.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O3S/c1-11-7-14(19)18-16(13(11)8-17)22-10-15(20)21-9-12-5-3-2-4-6-12/h2-7H,9-10H2,1H3,(H,18,19)InChIKey
KDKRLCARIOXGHY-UHFFFAOYSA-NSynonyms
202519-90-2202519902
benzyl((3cyano4methyl6oxo16dihydropyridin2yl)sulfanyl)acetate
benzyl2((3cyano4methyl6oxo16dihydropyridin2yl)thio)acetate
BENZYL2((3CYANO4METHYL6OXO1HPYRIDIN2YL)SULFANYL)ACETATE
CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=CC=CC=C2
InChI=1SC16H14N2O3Sc111714(19)1816(13(11)817)221015(20)219125324612h27H910H21H3(H1819)
MFCD00745644
N#Cc1c(SCC(=O)OCc2ccccc2)(nH)c(=O)cc1C
ZINC000013556783
ZINC13556783
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