Vitas-M small molecule compound
2-{[3-cyano-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Catalog ID
STK826782
SMILES N#CC1=C(SCC(=O)Nc2ccccc2OC)NC2=C(C1c1ccc(cc1)F)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 C25H22FN3O3S MW 463.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O3S/c1-32-21-8-3-2-5-18(21)28-22(31)14-33-25-17(13-27)23(15-9-11-16(26)12-10-15)24-19(29-25)6-4-7-20(24)30/h2-3,5,8-12,23,29H,4,6-7,14H2,1H3,(H,28,31)InChIKey
JTCWOXMYJLGXLT-UHFFFAOYSA-NSynonyms
2((3cyano4(4fluorophenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(2methoxyphenyl)acetamide
2((3cyano4(4fluorophenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(2methoxyphenyl)acetamide
COC1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)F)C#N
InChI=1SC25H22FN3O3Sc13221832518(21)2822(31)14332517(1327)23(1591116(26)121015)2419(2925)64720(24)30h2358122329H46714H21H3(H2831)
MFCD03951624
ZINC000003277117
ZINC000013065829
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