Vitas-M small molecule compound
methyl 5-cyano-4-(4-methylphenyl)-6-[(naphthalen-2-ylmethyl)sulfanyl]-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STL416143
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCc1ccc2c(c1)cccc2
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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 C26H22N2O3S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O3S/c1-16-7-10-19(11-8-16)22-21(14-27)25(28-24(29)23(22)26(30)31-2)32-15-17-9-12-18-5-3-4-6-20(18)13-17/h3-13,22-23H,15H2,1-2H3,(H,28,29)InChIKey
XURUJHPCYAIVDF-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC4=CC=CC=C4C=C3)C(=O)OC
InChI=1SC26H22N2O3Sc11671019(11816)2221(1427)25(2824(29)23(22)26(30)312)32151791218534620(18)1317h3132223H15H212H3(H2829)
methyl5cyano4(4methylphenyl)6((naphthalen2ylmethyl)sulfanyl)2oxo1234tetrahydropyridine3carboxylate
methyl5cyano4(4methylphenyl)6(naphthalen2ylmethylsulfanyl)2oxo34dihydro1Hpyridine3carboxylate
MFCD30707002
ZINC000220959601
ZINC000220959767
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