Vitas-M small molecule compound
benzyl {[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK725786
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccccc1OC
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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 C22H20N2O4S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S/c1-27-19-10-6-5-9-16(19)17-11-20(25)24-22(18(17)12-23)29-14-21(26)28-13-15-7-3-2-4-8-15/h2-10,17H,11,13-14H2,1H3,(H,24,25)InChIKey
WEKDILQHRJEKSH-UHFFFAOYSA-NSynonyms
312508-07-9312508079
benzyl((3cyano4(2methoxyphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
benzyl2((3cyano4(2methoxyphenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
BENZYL2((5CYANO4(2METHOXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
COC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3
InChI=1SC22H20N2O4Sc127191065916(19)171120(25)2422(18(17)1223)291421(26)2813157324815h21017H111314H21H3(H2425)
MFCD01461350
ZINC000008973272
ZINC000008973273
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