Vitas-M small molecule compound

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

Catalog ID
STK780888
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)c1cccc(c1)OC)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 C25H25NO5 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5/c1-3-31-25(29)23-18(15-8-5-4-6-9-15)13-20-22(24(23)28)19(14-21(27)26-20)16-10-7-11-17(12-16)30-2/h4-12,18-19,23H,3,13-14H2,1-2H3,(H,26,27)
InChIKey
GAHULNJWPSALHB-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)C3=CC(=CC=C3)OC)C4=CC=CC=C4
ethyl4(3methoxyphenyl)25dioxo7phenyl12345678octahydroquinoline6carboxylate
ethyl4(3methoxyphenyl)25dioxo7phenyl134678hexahydroquinoline6carboxylate
InChI=1SC25H25NO5c133125(29)2318(158546915)132022(24(23)28)19(1421(27)2620)161071117(1216)302h412181923H31314H212H3(H2627)
MFCD06013982
ZINC000001432344
ZINC000014943958

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Available files

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