Vitas-M small molecule compound
2-methylbutyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
Catalog ID
STK920541
SMILES CCC(COC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccccc1)C#N)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 C27H31N5O2 MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O2/c1-3-20(2)19-34-27(33)22(17-28)25-26(30-24-12-8-7-11-23(24)29-25)32-15-13-31(14-16-32)18-21-9-5-4-6-10-21/h4-12,20,22H,3,13-16,18-19H2,1-2H3InChIKey
NBHYYZAJEUZGFA-UHFFFAOYSA-NSynonyms
840479-27-82methylbutyl(3(4benzylpiperazin1yl)quinoxalin2yl)(cyano)acetate
2METHYLBUTYL2(3(4BENZYLPIPERAZIN1YL)QUINOXALIN2YL)2CYANOACETATE
840479278
CCC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4
InChI=1SC27H31N5O2c1320(2)193427(33)22(1728)2526(302412871123(24)2925)32151331(141632)182195461021h4122022H313161819H212H3
MFCD04006595
ZINC000055412879
ZINC000055412885
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