Vitas-M small molecule compound

benzyl {[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

Catalog ID
STK860657
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccccc1C

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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 C22H20N2O3S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O3S/c1-15-7-5-6-10-17(15)18-11-20(25)24-22(19(18)12-23)28-14-21(26)27-13-16-8-3-2-4-9-16/h2-10,18H,11,13-14H2,1H3,(H,24,25)
InChIKey
ODTJJAKPQLYFFU-UHFFFAOYSA-N
Synonyms
332050-82-5
332050825
benzyl((3cyano4(2methylphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
benzyl2((3cyano6oxo4(otolyl)1456tetrahydropyridin2yl)thio)acetate
BENZYL2((5CYANO4(2METHYLPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
CC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3
InChI=1SC22H20N2O3Sc1157561017(15)181120(25)2422(19(18)1223)281421(26)2713168324916h21018H111314H21H3(H2425)
MFCD01832451
ZINC000009329659
ZINC000009329660

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Available files

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