Vitas-M small molecule compound
2-ethylbutyl cyano(3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)acetate
Catalog ID
STL239373
SMILES CCC(COC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)/C=C/c1ccccc1)C#N)CC
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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 C29H33N5O2 MW 483.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N5O2/c1-3-22(4-2)21-36-29(35)24(20-30)27-28(32-26-13-9-8-12-25(26)31-27)34-18-16-33(17-19-34)15-14-23-10-6-5-7-11-23/h5-15,22,24H,3-4,16-19,21H2,1-2H3/b15-14+InChIKey
DKCXDBVCCJEJLV-CCEZHUSRSA-NSynonyms
578760-57-3(E)2ethylbutyl2cyano2(3(4styrylpiperazin1yl)quinoxalin2yl)acetate
2ETHYLBUTYL2CYANO2(3(4((E)2PHENYLETHENYL)PIPERAZIN1YL)QUINOXALIN2YL)ACETATE
2ethylbutylcyano(3(4((E)2phenylethenyl)piperazin1yl)quinoxalin2yl)acetate
578760573
CCC(CC)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C=CC4=CC=CC=C4
CCC(COC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)C=Cc1ccccc1)C#N)CC
InChI=1SC29H33N5O2c1322(42)213629(35)24(2030)2728(322613981225(26)3127)34181633(171934)151423106571123h5152224H34161921H212H3b1514+
MFCD04025773
ZINC000013749291
ZINC000049672417
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