Vitas-M small molecule compound
2-(butylsulfanyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK826512
SMILES CCCCSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1cc(OC)c(c(c1)OC)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 C25H32N2O4S MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O4S/c1-7-8-9-32-24-16(14-26)21(22-17(27-24)12-25(2,3)13-18(22)28)15-10-19(29-4)23(31-6)20(11-15)30-5/h10-11,21,27H,7-9,12-13H2,1-6H3InChIKey
YDOHZOKUAMWYRF-UHFFFAOYSA-NSynonyms
2(butylsulfanyl)77dimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2butylsulfanyl77dimethyl5oxo4(345trimethoxyphenyl)1468tetrahydroquinoline3carbonitrile
CCCCSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C#N
InChI=1SC25H32N2O4Sc1789322416(1426)21(2217(2724)1225(23)1318(22)28)151019(294)23(316)20(1115)305h10112127H791213H216H3
MFCD10086462
ZINC000020347718
ZINC000020347719
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