Vitas-M small molecule compound
2-(butylsulfanyl)-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK805294
SMILES CCCCSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)OC
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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 C17H20N2O2S MW 316.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O2S/c1-3-4-9-22-17-15(11-18)14(10-16(20)19-17)12-5-7-13(21-2)8-6-12/h5-8,14H,3-4,9-10H2,1-2H3,(H,19,20)InChIKey
WDUQDDYIRPGMRS-UHFFFAOYSA-NSynonyms
2(butylsulfanyl)4(4methoxyphenyl)6oxo1456tetrahydropyridine3carbonitrile
6butylsulfanyl4(4methoxyphenyl)2oxo34dihydro1Hpyridine5carbonitrile
CCCCSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OC)C#N
InChI=1SC17H20N2O2Sc1349221715(1118)14(1016(20)1917)125713(212)8612h5814H34910H212H3(H1920)
MFCD10087497
ZINC000012276342
ZINC000012276344
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