Vitas-M small molecule compound

methyl (1-{[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}piperidin-4-yl)acetate

Catalog ID
STL244113
SMILES COCCn1cc(C(=O)N2CCC(CC2)CC(=O)OC)c2c(c1=O)cccc2

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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 C21H26N2O5 MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O5/c1-27-12-11-23-14-18(16-5-3-4-6-17(16)20(23)25)21(26)22-9-7-15(8-10-22)13-19(24)28-2/h3-6,14-15H,7-13H2,1-2H3
InChIKey
JKVMMYROLPHNBA-UHFFFAOYSA-N
Synonyms
1374512-91-0
1374512910
COCCN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCC(CC3)CC(=O)OC
InChI=1SC21H26N2O5c1271211231418(16534617(16)20(23)25)21(26)229715(81022)1319(24)282h361415H713H212H3
methyl(1((2(2methoxyethyl)1oxo12dihydroisoquinolin4yl)carbonyl)piperidin4yl)acetate
methyl2(1(2(2methoxyethyl)1oxo12dihydroisoquinoline4carbonyl)piperidin4yl)acetate
methyl2(1(2(2methoxyethyl)1oxoisoquinoline4carbonyl)piperidin4yl)acetate
MFCD22201659
ZINC000072402744
ZINC72402744

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Available files

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