Vitas-M small molecule compound
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(hexylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK536973
SMILES CCCCCCSC1=C(C#N)C(CC(=O)N1)c1cc(Br)c(c(c1)OC)O
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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 C19H23BrN2O3S MW 439.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23BrN2O3S/c1-3-4-5-6-7-26-19-14(11-21)13(10-17(23)22-19)12-8-15(20)18(24)16(9-12)25-2/h8-9,13,24H,3-7,10H2,1-2H3,(H,22,23)InChIKey
RUGCEPCUEOWKEW-UHFFFAOYSA-NSynonyms
4(3bromo4hydroxy5methoxyphenyl)2(hexylsulfanyl)6oxo1456tetrahydropyridine3carbonitrile
4(3bromo4hydroxy5methoxyphenyl)2(hexylthio)6oxo1456tetrahydropyridine3carbonitrile
4(3BROMO4HYDROXY5METHOXYPHENYL)2HEXYLTHIO6OXO145TRIHYDROPYRIDINE3CARBONITRILE
4(3BROMO4HYDROXY5METHOXYPHENYL)6HEXYLSULFANYL2OXO34DIHYDRO1HPYRIDINE5CARBONITRILE
CCCCCCSC1=C(C(CC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C#N
InChI=1SC19H23BrN2O3Sc134567261914(1121)13(1017(23)2219)12815(20)18(24)16(912)252h891324H3710H212H3(H2223)
MFCD02232560
ZINC000009110624
ZINC000009110625
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