Vitas-M small molecule compound
ethyl 2,5-dioxo-7-phenyl-4-(thiophen-3-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK782440
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)c1cscc1)c1ccccc1
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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 C22H21NO4S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4S/c1-2-27-22(26)20-15(13-6-4-3-5-7-13)10-17-19(21(20)25)16(11-18(24)23-17)14-8-9-28-12-14/h3-9,12,15-16,20H,2,10-11H2,1H3,(H,23,24)InChIKey
FKCXGFICNWZYQF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)C3=CSC=C3)C4=CC=CC=C4
ethyl25dioxo7phenyl4(thiophen3yl)12345678octahydroquinoline6carboxylate
ethyl25dioxo7phenyl4thiophen3yl134678hexahydroquinoline6carboxylate
InChI=1SC22H21NO4Sc122722(26)2015(136435713)101719(21(20)25)16(1118(24)2317)1489281214h3912151620H21011H21H3(H2324)
MFCD06017606
ZINC000004742204
ZINC000014944776
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