Vitas-M small molecule compound
2-(hexylsulfanyl)-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK885621
SMILES CCCCCCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)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 C23H28N2OS MW 380.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2OS/c1-3-4-5-6-14-27-23-18(15-24)21(17-12-10-16(2)11-13-17)22-19(25-23)8-7-9-20(22)26/h10-13,21,25H,3-9,14H2,1-2H3InChIKey
HMFCWRBZGPZMBQ-UHFFFAOYSA-NSynonyms
488707-61-52(hexylsulfanyl)4(4methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2(hexylthio)5oxo4(ptolyl)145678hexahydroquinoline3carbonitrile
2hexylsulfanyl4(4methylphenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
488707615
CCCCCCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C)C#N
InChI=1SC23H28N2OSc1345614272318(1524)21(17121016(2)111317)2219(2523)87920(22)26h10132125H3914H212H3
MFCD03290630
ZINC000013284574
ZINC000013284575
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