Vitas-M small molecule compound

4-(2-ethoxyphenyl)-2-oxo-6-(prop-2-en-1-ylsulfanyl)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile

Catalog ID
STK763782
SMILES C=CCSC1=C(C#N)C(C(C(=O)N1)C#N)c1ccccc1OCC

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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 C18H17N3O2S MW 339.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O2S/c1-3-9-24-18-14(11-20)16(13(10-19)17(22)21-18)12-7-5-6-8-15(12)23-4-2/h3,5-8,13,16H,1,4,9H2,2H3,(H,21,22)
InChIKey
IBUQJZKOGSOOCN-UHFFFAOYSA-N
Synonyms
375827-97-7
375827977
4(2ETHOXYPHENYL)2OXIDANYLIDENE6PROP2ENYLSULFANYL34DIHYDRO1HPYRIDINE35DICARBONITRILE
4(2ethoxyphenyl)2oxo6(prop2en1ylsulfanyl)1234tetrahydropyridine35dicarbonitrile
4(2ETHOXYPHENYL)2OXO6(PROP2ENYLTHIO)34DIHYDRO1HPYRIDINE35DICARBONITRILE
4(2ETHOXYPHENYL)2OXO6PROP2ENYLSULFANYL34DIHYDRO1HPYRIDINE35DICARBONITRILE
4(2ETHOXYPHENYL)6OXO2PROP2ENYLTHIO145TRIHYDROPYRIDINE35DICARBONITRILE
6(ALLYLTHIO)2KETO4OPHENETYL34DIHYDRO1HPYRIDINE35DICARBONITRILE
6(allylthio)4(2ethoxyphenyl)2oxo1234tetrahydropyridine35dicarbonitrile
CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC=C)C#N
InChI=1SC18H17N3O2Sc139241814(1120)16(13(1019)17(22)2118)12756815(12)2342h3581316H149H22H3(H2122)
MFCD02232574
ZINC000009110438
ZINC000009357121

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.