Vitas-M small molecule compound
ethyl 4-(4-hydroxy-3-methoxyphenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK780598
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)c1ccc(c(c1)OC)O)c1cccs1
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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 C23H23NO6S MW 441.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO6S/c1-3-30-23(28)21-14(18-5-4-8-31-18)10-15-20(22(21)27)13(11-19(26)24-15)12-6-7-16(25)17(9-12)29-2/h4-9,13-14,21,25H,3,10-11H2,1-2H3,(H,24,26)InChIKey
KKLDRTRWKIQHIN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)C3=CC(=C(C=C3)O)OC)C4=CC=CS4
ethyl4(4hydroxy3methoxyphenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(4hydroxy3methoxyphenyl)25dioxo7thiophen2yl134678hexahydroquinoline6carboxylate
InChI=1SC23H23NO6Sc133023(28)2114(185483118)101520(22(21)27)13(1119(26)2415)126716(25)17(912)292h4913142125H31011H212H3(H2426)
MFCD06013372
ZINC000012412970
ZINC000014943858
Check stock
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Check stock on Vitas-MAvailable files
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