Vitas-M small molecule compound

1-methoxypropan-2-yl cyano[3-(dibutylamino)quinoxalin-2-yl]acetate

Catalog ID
STK546611
SMILES CCCCN(c1nc2ccccc2nc1C(C(=O)OC(COC)C)C#N)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 C23H32N4O3 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N4O3/c1-5-7-13-27(14-8-6-2)22-21(25-19-11-9-10-12-20(19)26-22)18(15-24)23(28)30-17(3)16-29-4/h9-12,17-18H,5-8,13-14,16H2,1-4H3
InChIKey
GWABGCGQESQLSW-UHFFFAOYSA-N
Synonyms
488861-11-6
1METHOXYPROPAN2YL2CYANO2(3(DIBUTYLAMINO)QUINOXALIN2YL)ACETATE
1methoxypropan2ylcyano(3(dibutylamino)quinoxalin2yl)acetate
2METHOXY1METHYLETHYLCYANO(3(DIBUTYLAMINO)QUINOXALIN2YL)ACETATE
488861116
CCCCN(CCCC)C1=NC2=CC=CC=C2N=C1C(C#N)C(=O)OC(C)COC
InChI=1SC23H32N4O3c1571327(14862)2221(2519119101220(19)2622)18(1524)23(28)3017(3)16294h9121718H58131416H214H3
MFCD03295309
ZINC000004889417
ZINC000004889420

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Available files

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