Vitas-M small molecule compound

4-(2,5-dimethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

Catalog ID
STK860587
SMILES CCSC1=C(C#N)C(CC(=O)N1)c1cc(OC)ccc1OC

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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 C16H18N2O3S MW 318.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O3S/c1-4-22-16-13(9-17)11(8-15(19)18-16)12-7-10(20-2)5-6-14(12)21-3/h5-7,11H,4,8H2,1-3H3,(H,18,19)
InChIKey
ILNXFDLEUPEQSU-UHFFFAOYSA-N
Synonyms

4(25dimethoxyphenyl)2(ethylsulfanyl)6oxo1456tetrahydropyridine3carbonitrile
4(25dimethoxyphenyl)2(ethylthio)6oxo1456tetrahydropyridine3carbonitrile
4(25DIMETHOXYPHENYL)2ETHYLTHIO6OXO145TRIHYDROPYRIDINE3CARBONITRILE
4(25DIMETHOXYPHENYL)6ETHYLSULFANYL2OXO34DIHYDRO1HPYRIDINE5CARBONITRILE
CCSC1=C(C(CC(=O)N1)C2=C(C=CC(=C2)OC)OC)C#N
InChI=1SC16H18N2O3Sc14221613(917)11(815(19)1816)12710(202)5614(12)213h5711H48H213H3(H1819)
MFCD01469792
ZINC000009110793
ZINC000009110794

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Available files

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