Vitas-M small molecule compound

2-methylpropyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate

Catalog ID
STK714378
SMILES N#CC(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccccc1)C(=O)OCC(C)C

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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 C26H29N5O2 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O2/c1-19(2)18-33-26(32)21(16-27)24-25(29-23-11-7-6-10-22(23)28-24)31-14-12-30(13-15-31)17-20-8-4-3-5-9-20/h3-11,19,21H,12-15,17-18H2,1-2H3
InChIKey
QLSOGUMJVYFAOJ-UHFFFAOYSA-N
Synonyms
840463-14-1
2METHYLPROPYL(2R)(3(4BENZYLPIPERAZIN1YL)QUINOXALIN2YL)(CYANO)ETHANOATE
2METHYLPROPYL(2S)(3(4BENZYLPIPERAZIN1YL)QUINOXALIN2YL)(CYANO)ETHANOATE
2methylpropyl(3(4benzylpiperazin1yl)quinoxalin2yl)(cyano)acetate
2METHYLPROPYL2(3(4BENZYLPIPERAZIN1YL)QUINOXALIN2YL)2CYANOACETATE
840463141
CC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4
InChI=1SC26H29N5O2c119(2)183326(32)21(1627)2425(292311761022(23)2824)31141230(131531)17208435920h3111921H12151718H212H3
ISOBUTYL2(3(4BENZYLPIPERAZIN1YL)QUINOXALIN2YL)2CYANOACETATE
MFCD04004654
ZINC000055412850
ZINC000055412851

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Available files

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