Vitas-M small molecule compound
methyl 5-cyano-4-(4-methylphenyl)-2-oxo-6-[(2-phenylethyl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STL415998
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCCc1ccccc1
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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/c1-15-8-10-17(11-9-15)19-18(14-24)22(25-21(26)20(19)23(27)28-2)29-13-12-16-6-4-3-5-7-16/h3-11,19-20H,12-13H2,1-2H3,(H,25,26)InChIKey
YXNWIUCLISUPMD-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCCC3=CC=CC=C3)C(=O)OC
InChI=1SC23H22N2O3Sc11581017(11915)1918(1424)22(2521(26)20(19)23(27)282)291312166435716h3111920H1213H212H3(H2526)
methyl5cyano4(4methylphenyl)2oxo6((2phenylethyl)sulfanyl)1234tetrahydropyridine3carboxylate
methyl5cyano4(4methylphenyl)2oxo6(2phenylethylsulfanyl)34dihydro1Hpyridine3carboxylate
MFCD30706900
ZINC000220954576
ZINC000220954758
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Check stock on Vitas-MAvailable files
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