Vitas-M small molecule compound

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

Catalog ID
STL553766
SMILES CCOc1cc2c(cc1OCC)CC(=O)N(C2c1ccc(cc1)OC)c1ccc(cc1)C(=O)OC

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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 C28H29NO6 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO6/c1-5-34-24-15-20-16-26(30)29(21-11-7-19(8-12-21)28(31)33-4)27(23(20)17-25(24)35-6-2)18-9-13-22(32-3)14-10-18/h7-15,17,27H,5-6,16H2,1-4H3
InChIKey
DWRXWRJWLYVXBP-UHFFFAOYSA-N
Synonyms
639005-50-8
3765061
639005508
InChI=1SC28H29NO6c15342415201626(30)29(2111719(81221)28(31)334)27(23(20)1725(24)3562)1891322(323)141018h7151727H5616H214H3
METHYL4(67DIETHOXY1(4METHOXYPHENYL)3OXO14DIHYDROISOQUINOLIN2YL)BENZOATE
methyl4(67diethoxy1(4methoxyphenyl)3oxo34dihydroisoquinolin2(1H)yl)benzoate
MFCD03869797
ZINC000002152855
ZINC000002152858

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Available files

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