Vitas-M small molecule compound

benzyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK004488
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)OC)C(=O)OCc1ccccc1

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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 C35H35NO7 MW 581.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35NO7/c1-5-41-31-19-25(13-16-30(31)43-22(3)37)33-32(35(39)42-20-23-9-7-6-8-10-23)21(2)36-28-17-26(18-29(38)34(28)33)24-11-14-27(40-4)15-12-24/h6-16,19,26,33,36H,5,17-18,20H2,1-4H3
InChIKey
AIEMBPNUZVCPNN-UHFFFAOYSA-N
Synonyms

benzyl4(4(acetyloxy)3ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4acetyloxy3ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OCC5=CC=CC=C5)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)OC)C(=O)OCc1ccccc1
InChI=1SC35H35NO7c1541311925(131630(31)4322(3)37)3332(35(39)42202397681023)21(2)36281726(1829(38)34(28)33)24111427(404)151224h61619263336H5171820H214H3
MFCD01590139
STK004488
ZINC000100556445
ZINC000100556450

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Available files

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