Vitas-M small molecule compound
benzyl {[3-cyano-4-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK838420
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccc(cc1)CC
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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 C23H22N2O3S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O3S/c1-2-16-8-10-18(11-9-16)19-12-21(26)25-23(20(19)13-24)29-15-22(27)28-14-17-6-4-3-5-7-17/h3-11,19H,2,12,14-15H2,1H3,(H,25,26)InChIKey
VINCEJXQBCVCHW-UHFFFAOYSA-NSynonyms
332050-72-3332050723
benzyl((3cyano4(4ethylphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
benzyl2((3cyano4(4ethylphenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
BENZYL2((5CYANO4(4ETHYLPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
CCC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3
InChI=1SC23H22N2O3Sc121681018(11916)191221(26)2523(20(19)1324)291522(27)2814176435717h31119H2121415H21H3(H2526)
MFCD01832449
ZINC000009324694
ZINC000009324695
ZINC09324694
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