Vitas-M small molecule compound
2-(benzylsulfanyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK860599
SMILES CCOc1cc(ccc1O)C1CC(=O)NC(=C1C#N)SCc1ccccc1
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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 C21H20N2O3S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S/c1-2-26-19-10-15(8-9-18(19)24)16-11-20(25)23-21(17(16)12-22)27-13-14-6-4-3-5-7-14/h3-10,16,24H,2,11,13H2,1H3,(H,23,25)InChIKey
SFOKEPZCKCZEFL-UHFFFAOYSA-NSynonyms
332051-80-62(benzylsulfanyl)4(3ethoxy4hydroxyphenyl)6oxo1456tetrahydropyridine3carbonitrile
2(benzylthio)4(3ethoxy4hydroxyphenyl)6oxo1456tetrahydropyridine3carbonitrile
332051806
6BENZYLSULFANYL4(3ETHOXY4HYDROXYPHENYL)2OXO34DIHYDRO1HPYRIDINE5CARBONITRILE
CCOC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3)O
InChI=1SC21H20N2O3Sc1226191015(8918(19)24)161120(25)2321(17(16)1222)2713146435714h3101624H21113H21H3(H2325)
MFCD01464615
ZINC000009363613
ZINC000009363614
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