Vitas-M small molecule compound

2-(benzylsulfanyl)-4-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

Catalog ID
STK725768
SMILES N#CC1=C(SCc2ccccc2)NC(=O)CC1c1ccc(cc1)CC

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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 C21H20N2OS MW 348.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2OS/c1-2-15-8-10-17(11-9-15)18-12-20(24)23-21(19(18)13-22)25-14-16-6-4-3-5-7-16/h3-11,18H,2,12,14H2,1H3,(H,23,24)
InChIKey
ALGXVRPKAWHXBD-UHFFFAOYSA-N
Synonyms

2(benzylsulfanyl)4(4ethylphenyl)6oxo1456tetrahydropyridine3carbonitrile
2(benzylthio)4(4ethylphenyl)6oxo1456tetrahydropyridine3carbonitrile
6BENZYLSULFANYL4(4ETHYLPHENYL)2OXO34DIHYDRO1HPYRIDINE5CARBONITRILE
CCC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3
InChI=1SC21H20N2OSc121581017(11915)181220(24)2321(19(18)1322)2514166435716h31118H21214H21H3(H2324)
MFCD01461341
ZINC000009353704
ZINC000009353706

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Available files

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