Vitas-M small molecule compound

ethyl 4-{3-[2-(butylamino)-1-cyano-2-oxoethyl]quinoxalin-2-yl}piperazine-1-carboxylate

Catalog ID
STK534722
SMILES CCCCNC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)C(=O)OCC)C#N

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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 C22H28N6O3 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N6O3/c1-3-5-10-24-21(29)16(15-23)19-20(26-18-9-7-6-8-17(18)25-19)27-11-13-28(14-12-27)22(30)31-4-2/h6-9,16H,3-5,10-14H2,1-2H3,(H,24,29)
InChIKey
NGBVENJXVZRGIZ-UHFFFAOYSA-N
Synonyms

CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=O)OCC
ETHYL4(3((1R)2(BUTYLAMINO)1CYANO2OXOETHYL)QUINOXALIN2YL)PIPERAZINE1CARBOXYLATE
ethyl4(3(2(butylamino)1cyano2oxoethyl)quinoxalin2yl)piperazine1carboxylate
InChI=1SC22H28N6O3c135102421(29)16(1523)1920(2618976817(18)2519)27111328(141227)22(30)3142h6916H351014H212H3(H2429)
MFCD02991356
ZINC000002274216
ZINC000002274217

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Available files

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