Vitas-M small molecule compound
2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
Catalog ID
STK826857
SMILES N#CC1=C(SCC(=O)Nc2cc(Cl)cc(c2)Cl)NC2=C(C1c1ccco1)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 C22H17Cl2N3O3S MW 474.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17Cl2N3O3S/c23-12-7-13(24)9-14(8-12)26-19(29)11-31-22-15(10-25)20(18-5-2-6-30-18)21-16(27-22)3-1-4-17(21)28/h2,5-9,20,27H,1,3-4,11H2,(H,26,29)InChIKey
NMJLSUKGGKIYOT-UHFFFAOYSA-NSynonyms
799826-36-12((3cyano4(furan2yl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(35dichlorophenyl)acetamide
2((3cyano4(furan2yl)5oxo145678hexahydroquinolin2yl)thio)N(35dichlorophenyl)acetamide
2((3cyano4(furan2yl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(35dichlorophenyl)acetamide
799826361
C1CC2=C(C(C(=C(N2)SCC(=O)NC3=CC(=CC(=C3)Cl)Cl)C#N)C4=CC=CO4)C(=O)C1
InChI=1SC22H17Cl2N3O3Sc2312713(24)914(812)2619(29)11312215(1025)20(185263018)2116(2722)31417(21)28h2592027H13411H2(H2629)
MFCD03683347
ZINC000002239573
ZINC000002239576
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