Vitas-M small molecule compound

4-{[1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-3-methoxybenzaldehyde

Catalog ID
STL366079
SMILES COc1cc(C=O)ccc1OC(C(=O)N1CCc2c(C1)cccc2)C

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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 C20H21NO4 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO4/c1-14(25-18-8-7-15(13-22)11-19(18)24-2)20(23)21-10-9-16-5-3-4-6-17(16)12-21/h3-8,11,13-14H,9-10,12H2,1-2H3
InChIKey
ZNRGUKXLIMDWSF-UHFFFAOYSA-N
Synonyms
1091809-26-5
1091809265
4((1(34dihydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)3methoxybenzaldehyde
4(1(34dihydro1Hisoquinolin2yl)1oxopropan2yl)oxy3methoxybenzaldehyde
CC(C(=O)N1CCC2=CC=CC=C2C1)OC3=C(C=C(C=C3)C=O)OC
InChI=1SC20H21NO4c114(25188715(1322)1119(18)242)20(23)2110916534617(16)1221h38111314H91012H212H3
MFCD13886055
ZINC000020004261
ZINC000020004264

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Available files

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