Vitas-M small molecule compound
ethyl 2,5-dioxo-7-(thiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK780896
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)c1cc(OC)c(c(c1)OC)OC)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 C25H27NO7S MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO7S/c1-5-33-25(29)22-15(19-7-6-8-34-19)11-16-21(23(22)28)14(12-20(27)26-16)13-9-17(30-2)24(32-4)18(10-13)31-3/h6-10,14-15,22H,5,11-12H2,1-4H3,(H,26,27)InChIKey
SOZRCZJTJVTAEP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CS4
ethyl25dioxo7(thiophen2yl)4(345trimethoxyphenyl)12345678octahydroquinoline6carboxylate
ethyl25dioxo7thiophen2yl4(345trimethoxyphenyl)134678hexahydroquinoline6carboxylate
InChI=1SC25H27NO7Sc153325(29)2215(197683419)111621(23(22)28)14(1220(27)2616)13917(302)24(324)18(1013)313h610141522H51112H214H3(H2627)
MFCD06013990
ZINC000001432352
ZINC000014944010
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