Vitas-M small molecule compound
2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK886091
SMILES N#CC1=C(SCC(=O)c2ccc(cc2Cl)Cl)NC2=C(C1c1cccnc1)C(=O)CCC2
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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 C23H17Cl2N3O2S MW 470.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17Cl2N3O2S/c24-14-6-7-15(17(25)9-14)20(30)12-31-23-16(10-26)21(13-3-2-8-27-11-13)22-18(28-23)4-1-5-19(22)29/h2-3,6-9,11,21,28H,1,4-5,12H2InChIKey
OGDIHIILUWYNIX-UHFFFAOYSA-NSynonyms
2((2(24dichlorophenyl)2oxoethyl)sulfanyl)5oxo4(pyridin3yl)145678hexahydroquinoline3carbonitrile
2(2(24dichlorophenyl)2oxoethyl)sulfanyl5oxo4pyridin3yl4678tetrahydro1Hquinoline3carbonitrile
C1CC2=C(C(C(=C(N2)SCC(=O)C3=C(C=C(C=C3)Cl)Cl)C#N)C4=CN=CC=C4)C(=O)C1
InChI=1SC23H17Cl2N3O2Sc24146715(17(25)914)20(30)12312316(1026)21(13328271113)2218(2823)41519(22)29h2369112128H14512H2
MFCD04634243
ZINC000025425051
ZINC000025425055
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