Vitas-M small molecule compound

ethyl 4-(2,4-dimethoxyphenyl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK368867
SMILES CCOC(=O)C1=C(CC)NC2=C(C1c1ccc(cc1OC)OC)C(=O)CC(C2)(C)C

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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 C24H31NO5 MW 413.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO5/c1-7-16-22(23(27)30-8-2)20(15-10-9-14(28-5)11-19(15)29-6)21-17(25-16)12-24(3,4)13-18(21)26/h9-11,20,25H,7-8,12-13H2,1-6H3
InChIKey
QLHDHCFVMKTWSB-UHFFFAOYSA-N
Synonyms
294198-06-4
294198064
CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=C(C=C3)OC)OC)C(=O)OCC
ethyl4(24dimethoxyphenyl)2ethyl77dimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(24dimethoxyphenyl)2ethyl77dimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC24H31NO5c171622(23(27)3082)20(1510914(285)1119(15)296)2117(2516)1224(34)1318(21)26h9112025H781213H216H3
MFCD00339518
ZINC000000676877
ZINC000002090506

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Available files

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