Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-2-(butylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK839321
SMILES CCCCSC1=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 C17H18N2O3S MW 330.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O3S/c1-2-3-6-23-17-13(9-18)12(8-16(20)19-17)11-4-5-14-15(7-11)22-10-21-14/h4-5,7,12H,2-3,6,8,10H2,1H3,(H,19,20)InChIKey
ZBRSFVFSHUOMSR-UHFFFAOYSA-NSynonyms
370844-35-2370844352
4(13benzodioxol5yl)2(butylsulfanyl)6oxo1456tetrahydropyridine3carbonitrile
4(13BENZODIOXOL5YL)6BUTYLSULFANYL2OXO34DIHYDRO1HPYRIDINE5CARBONITRILE
4(benzo(d)(13)dioxol5yl)2(butylthio)6oxo1456tetrahydropyridine3carbonitrile
CCCCSC1=C(C(CC(=O)N1)C2=CC3=C(C=C2)OCO3)C#N
InChI=1SC17H18N2O3Sc1236231713(918)12(816(20)1917)11451415(711)22102114h45712H236810H21H3(H1920)
MFCD02999329
ZINC000009015312
ZINC000009015313
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