Vitas-M small molecule compound
2-(hexylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK542259
SMILES CCCCCCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C(C)C
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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 C25H32N2OS MW 408.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2OS/c1-4-5-6-7-15-29-25-20(16-26)23(19-13-11-18(12-14-19)17(2)3)24-21(27-25)9-8-10-22(24)28/h11-14,17,23,27H,4-10,15H2,1-3H3InChIKey
BWRRFKYCLQXHDV-UHFFFAOYSA-NSynonyms
488725-04-82(hexylsulfanyl)5oxo4(4(propan2yl)phenyl)145678hexahydroquinoline3carbonitrile
2(hexylthio)4(4isopropylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2hexylsulfanyl5oxo4(4propan2ylphenyl)4678tetrahydro1Hquinoline3carbonitrile
488725048
CCCCCCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C#N
InChI=1SC25H32N2OSc1456715292520(1626)23(19131118(121419)17(2)3)2421(2725)981022(24)28h1114172327H41015H213H3
MFCD03291481
ZINC000002158624
ZINC000002158629
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