Vitas-M small molecule compound
2-methylbutyl cyano[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate
Catalog ID
STL226023
SMILES CCC(COC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)C)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 C21H27N5O2 MW 381.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O2/c1-4-15(2)14-28-21(27)16(13-22)19-20(26-11-9-25(3)10-12-26)24-18-8-6-5-7-17(18)23-19/h5-8,15-16H,4,9-12,14H2,1-3H3InChIKey
SHVWCJIIJWULQP-UHFFFAOYSA-NSynonyms
578000-11-0(2R)2METHYLBUTYL(2S)CYANO(3(4METHYLPIPERAZIN1YL)QUINOXALIN2YL)ETHANOATE
(2S)2METHYLBUTYL(2S)CYANO(3(4METHYLPIPERAZIN1YL)QUINOXALIN2YL)ETHANOATE
2METHYLBUTYL2CYANO2(3(4METHYLPIPERAZIN1YL)QUINOXALIN2YL)ACETATE
2methylbutylcyano(3(4methylpiperazin1yl)quinoxalin2yl)acetate
578000110
CCC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C
InChI=1SC21H27N5O2c1415(2)142821(27)16(1322)1920(2611925(3)101226)2418865717(18)2319h581516H491214H213H3
MFCD04022809
ZINC000002365864
ZINC000002365869
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