Vitas-M small molecule compound
2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Catalog ID
STK826386
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC2=C(C1c1ccc(c(c1)OC)O)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 C25H22FN3O4S MW 479.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O4S/c1-33-21-11-14(5-10-19(21)30)23-17(12-27)25(29-18-3-2-4-20(31)24(18)23)34-13-22(32)28-16-8-6-15(26)7-9-16/h5-11,23,29-30H,2-4,13H2,1H3,(H,28,32)InChIKey
XKYXRKSMLAGJDK-UHFFFAOYSA-NSynonyms
693238-51-62((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(4fluorophenyl)acetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)thio)N(4fluorophenyl)acetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(4fluorophenyl)acetamide
693238516
COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=C(C=C4)F)C#N)O
InChI=1SC25H22FN3O4Sc133211114(51019(21)30)2317(1227)25(291832420(31)24(18)23)341322(32)28168615(26)7916h511232930H2413H21H3(H2832)
MFCD03669887
ZINC000002201091
ZINC000002201093
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