Vitas-M small molecule compound

ethyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate

Catalog ID
STL527826
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)Cc2c(C1c1ccc(c(c1)OCC)OCC)cc(c(c2)OCC)OCC

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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 C32H37NO7 MW 547.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO7/c1-6-36-26-16-13-22(17-27(26)37-7-2)31-25-20-29(39-9-4)28(38-8-3)18-23(25)19-30(34)33(31)24-14-11-21(12-15-24)32(35)40-10-5/h11-18,20,31H,6-10,19H2,1-5H3
InChIKey
GVYKKFUCMMSMBC-UHFFFAOYSA-N
Synonyms
671769-90-7
5161768
671769907
ETHYL4(1(34DIETHOXYPHENYL)67DIETHOXY3OXO14DIHYDROISOQUINOLIN2YL)BENZOATE
ethyl4(1(34diethoxyphenyl)67diethoxy3oxo34dihydroisoquinolin2(1H)yl)benzoate
InChI=1SC32H37NO7c163626161322(1727(26)3772)31252029(3994)28(3883)1823(25)1930(34)33(31)24141121(121524)32(35)40105h11182031H61019H215H3
MFCD03661486
ZINC000070673685
ZINC000070673688

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Available files

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