Vitas-M small molecule compound

diethyl [5-(dibutylamino)pent-3-yn-2-yl]propanedioate

Catalog ID
STK746427
SMILES CCCCN(CC#CC(C(C(=O)OCC)C(=O)OCC)C)CCCC

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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 C20H35NO4 MW 353.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H35NO4/c1-6-10-14-21(15-11-7-2)16-12-13-17(5)18(19(22)24-8-3)20(23)25-9-4/h17-18H,6-11,14-16H2,1-5H3
InChIKey
BHMFSEHYDQOSRD-UHFFFAOYSA-N
Synonyms
68059-16-5
68059165
CCCCN(CCCC)CC#CC(C)C(C(=O)OCC)C(=O)OCC
diethyl(5(dibutylamino)pent3yn2yl)propanedioate
diethyl2(5(dibutylamino)pent3yn2yl)malonate
DIETHYL2(5(DIBUTYLAMINO)PENT3YN2YL)PROPANEDIOATE
InChI=1SC20H35NO4c16101421(151172)16121317(5)18(19(22)2483)20(23)2594h1718H6111416H215H3
MFCD00376969
ZINC000004524829
ZINC000004524832

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Available files

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