Vitas-M small molecule compound
2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Catalog ID
STK885599
SMILES CCOc1ccccc1C1C(=C(SCC(=O)Nc2cccc(c2)C)NC2=C1C(=O)CCC2)C#N
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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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-3-33-23-13-5-4-10-19(23)25-20(15-28)27(30-21-11-7-12-22(31)26(21)25)34-16-24(32)29-18-9-6-8-17(2)14-18/h4-6,8-10,13-14,25,30H,3,7,11-12,16H2,1-2H3,(H,29,32)InChIKey
GWRBQQGDJXZXKK-UHFFFAOYSA-NSynonyms
370854-73-22((3cyano4(2ethoxyphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(3methylphenyl)acetamide
2((3cyano4(2ethoxyphenyl)5oxo145678hexahydroquinolin2yl)thio)N(mtolyl)acetamide
2((3cyano4(2ethoxyphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(3methylphenyl)acetamide
370854732
CCOC1=CC=CC=C1C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=CC(=C4)C)C#N
InChI=1SC27H27N3O3Sc13332313541019(23)2520(1528)27(30211171222(31)26(21)25)341624(32)291896817(2)1418h4681013142530H37111216H212H3(H2932)
MFCD02999965
ZINC000001296561
ZINC000001296562
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