Vitas-M small molecule compound

propyl 2-(4-ethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

Catalog ID
STL104525
SMILES CCCOC(=O)c1cn(c2ccc(cc2)OCC)c(=O)c2c1cccc2

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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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-3-13-26-21(24)19-14-22(15-9-11-16(12-10-15)25-4-2)20(23)18-8-6-5-7-17(18)19/h5-12,14H,3-4,13H2,1-2H3
InChIKey
TZTFBQZWDBGNEG-UHFFFAOYSA-N
Synonyms
1031961-08-6
1031961086
CCCOC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OCC
InChI=1SC21H21NO4c13132621(24)191422(1591116(121015)2542)20(23)18865717(18)19h51214H3413H212H3
MFCD15135776
propyl2(4ethoxyphenyl)1oxo12dihydroisoquinoline4carboxylate
propyl2(4ethoxyphenyl)1oxoisoquinoline4carboxylate
ZINC000021359959
ZINC21359959

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Available files

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