Vitas-M small molecule compound

4-methoxybenzyl 4-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363585
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OC)C(=O)CCC2

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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 C26H27NO5 MW 433.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO5/c1-16-23(26(29)32-15-17-10-12-19(30-2)13-11-17)24(18-6-4-7-20(14-18)31-3)25-21(27-16)8-5-9-22(25)28/h4,6-7,10-14,24,27H,5,8-9,15H2,1-3H3
InChIKey
TVAJGULUGPHQMW-UHFFFAOYSA-N
Synonyms

(4methoxyphenyl)methyl4(3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl4(3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)OC)C(=O)OCC4=CC=C(C=C4)OC
InChI=1SC26H27NO5c11623(26(29)321517101219(302)131117)24(1864720(1418)313)2521(2716)85922(25)28h46710142427H58915H213H3
MFCD01445664
ZINC000019760912
ZINC000019760914

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Available files

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