Vitas-M small molecule compound

2-(4-bromophenyl)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3(2H)-one

Catalog ID
STK553251
SMILES CCOc1cc(ccc1OCC)C1c2cc(OCC)c(cc2CC(=O)N1c1ccc(cc1)Br)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 C29H32BrNO5 MW 554.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32BrNO5/c1-5-33-24-14-9-19(15-25(24)34-6-2)29-23-18-27(36-8-4)26(35-7-3)16-20(23)17-28(32)31(29)22-12-10-21(30)11-13-22/h9-16,18,29H,5-8,17H2,1-4H3
InChIKey
OBJWWYRMGWEKDV-UHFFFAOYSA-N
Synonyms

2(4bromophenyl)1(34diethoxyphenyl)67diethoxy12dihydroisoquinolin3(4H)one
2(4bromophenyl)1(34diethoxyphenyl)67diethoxy14dihydroisoquinolin3(2H)one
2(4BROMOPHENYL)1(34DIETHOXYPHENYL)67DIETHOXY14DIHYDROISOQUINOLIN3ONE
CCOC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)Br)OCC)OCC)OCC
InChI=1SC29H32BrNO5c15332414919(1525(24)3462)29231827(3684)26(3573)1620(23)1728(32)31(29)22121021(30)111322h9161829H5817H214H3
MFCD03679897
ZINC000001874514
ZINC000001874515

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Available files

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