Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK839721
SMILES CCCSC1=C(C#N)C(CC(=O)N1)c1ccc2c(c1)OCO2
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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 C16H16N2O3S MW 316.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3S/c1-2-5-22-16-12(8-17)11(7-15(19)18-16)10-3-4-13-14(6-10)21-9-20-13/h3-4,6,11H,2,5,7,9H2,1H3,(H,18,19)InChIKey
YELITOHGUUAQDI-UHFFFAOYSA-NSynonyms
383894-38-0383894380
4(13BENZODIOXOL5YL)2OXO6PROPYLSULFANYL34DIHYDRO1HPYRIDINE5CARBONITRILE
4(13benzodioxol5yl)6oxo2(propylsulfanyl)1456tetrahydropyridine3carbonitrile
4(benzo(d)(13)dioxol5yl)6oxo2(propylthio)1456tetrahydropyridine3carbonitrile
CCCSC1=C(C(CC(=O)N1)C2=CC3=C(C=C2)OCO3)C#N
InChI=1SC16H16N2O3Sc125221612(817)11(715(19)1816)10341314(610)2192013h34611H2579H21H3(H1819)
MFCD03000656
ZINC000008972935
ZINC000008972936
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