Vitas-M small molecule compound

2-{[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide

Catalog ID
STK826877
SMILES N#CC1=C(SCC(=O)Nc2ccccc2F)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)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 C27H26FN3O5S MW 523.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN3O5S/c1-34-21-11-15(12-22(35-2)26(21)36-3)24-16(13-29)27(31-19-9-6-10-20(32)25(19)24)37-14-23(33)30-18-8-5-4-7-17(18)28/h4-5,7-8,11-12,24,31H,6,9-10,14H2,1-3H3,(H,30,33)
InChIKey
QVLPKWSCARNRCH-UHFFFAOYSA-N
Synonyms
496772-59-9
2((3cyano5oxo4(345trimethoxyphenyl)145678hexahydroquinolin2yl)sulfanyl)N(2fluorophenyl)acetamide
2((3cyano5oxo4(345trimethoxyphenyl)145678hexahydroquinolin2yl)thio)N(2fluorophenyl)acetamide
2((3cyano5oxo4(345trimethoxyphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)N(2fluorophenyl)acetamide
496772599
COC1=CC(=CC(=C1OC)OC)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=CC=C4F)C#N
InChI=1SC27H26FN3O5Sc134211115(1222(352)26(21)363)2416(1329)27(3119961020(32)25(19)24)371423(33)3018854717(18)28h457811122431H691014H213H3(H3033)
MFCD03298505
ZINC000001270687
ZINC000001270688

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Available files

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