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-fluorophenyl)acetamide
Catalog ID
STK826695
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2)F)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 C22H18FN3O3S MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN3O3S/c23-13-4-1-5-14(10-13)25-19(28)12-30-22-15(11-24)20(18-8-3-9-29-18)21-16(26-22)6-2-7-17(21)27/h1,3-5,8-10,20,26H,2,6-7,12H2,(H,25,28)InChIKey
KZEFUCQWNZUFME-UHFFFAOYSA-NSynonyms
865591-82-82((3cyano4(furan2yl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(3fluorophenyl)acetamide
2((3cyano4(furan2yl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(3fluorophenyl)acetamide
865591828
C1CC2=C(C(C(=C(N2)SCC(=O)NC3=CC(=CC=C3)F)C#N)C4=CC=CO4)C(=O)C1
InChI=1SC22H18FN3O3Sc231341514(1013)2519(28)12302215(1124)20(188392918)2116(2622)62717(21)27h1358102026H26712H2(H2528)
MFCD04440987
ZINC000090444864
ZINC000090444866
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