Vitas-M small molecule compound
6-(benzylsulfanyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
Catalog ID
STK763784
SMILES CCOc1ccccc1C1C(=C(SCc2ccccc2)NC(=O)C1C#N)C#N
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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 C22H19N3O2S MW 389.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O2S/c1-2-27-19-11-7-6-10-16(19)20-17(12-23)21(26)25-22(18(20)13-24)28-14-15-8-4-3-5-9-15/h3-11,17,20H,2,14H2,1H3,(H,25,26)InChIKey
XBFVNOPMQNMMRZ-UHFFFAOYSA-NSynonyms
6(benzylsulfanyl)4(2ethoxyphenyl)2oxo1234tetrahydropyridine35dicarbonitrile
6(benzylthio)4(2ethoxyphenyl)2oxo1234tetrahydropyridine35dicarbonitrile
6BENZYLSULFANYL4(2ETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE35DICARBONITRILE
CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C#N
InChI=1SC22H19N3O2Sc12271911761016(19)2017(1223)21(26)2522(18(20)1324)2814158435915h3111720H214H21H3(H2526)
MFCD02232576
ZINC000009329561
ZINC000009329564
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