Vitas-M small molecule compound

ethyl 4-(4-hydroxy-3-methoxyphenyl)-2,5-dioxo-7-phenyl-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate

Catalog ID
STK780594
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)c1ccc(c(c1)OC)O)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 C25H25NO6 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO6/c1-3-32-25(30)23-16(14-7-5-4-6-8-14)12-18-22(24(23)29)17(13-21(28)26-18)15-9-10-19(27)20(11-15)31-2/h4-11,16-17,23,27H,3,12-13H2,1-2H3,(H,26,28)
InChIKey
VDAQUSVMOXSOLC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)C3=CC(=C(C=C3)O)OC)C4=CC=CC=C4
ethyl4(4hydroxy3methoxyphenyl)25dioxo7phenyl12345678octahydroquinoline6carboxylate
ethyl4(4hydroxy3methoxyphenyl)25dioxo7phenyl134678hexahydroquinoline6carboxylate
InChI=1SC25H25NO6c133225(30)2316(147546814)121822(24(23)29)17(1321(28)2618)1591019(27)20(1115)312h41116172327H31213H212H3(H2628)
MFCD06013364
ZINC000001431774
ZINC000014943806

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.