Vitas-M small molecule compound
2-(butylsulfanyl)-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK842003
SMILES CCCCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1cccc(c1Cl)Cl
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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 C20H20Cl2N2OS MW 407.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20Cl2N2OS/c1-2-3-10-26-20-13(11-23)17(12-6-4-7-14(21)19(12)22)18-15(24-20)8-5-9-16(18)25/h4,6-7,17,24H,2-3,5,8-10H2,1H3InChIKey
MOKCTLBUKZHVEA-UHFFFAOYSA-NSynonyms
488089-06-12(butylsulfanyl)4(23dichlorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2(butylthio)4(23dichlorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2butylsulfanyl4(23dichlorophenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
488089061
CCCCSC1=C(C(C2=C(N1)CCCC2=O)C3=C(C(=CC=C3)Cl)Cl)C#N
InChI=1SC20H20Cl2N2OSc12310262013(1123)17(1264714(21)19(12)22)1815(2420)85916(18)25h4671724H235810H21H3
MFCD03287861
ZINC000013284547
ZINC000013284548
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