Vitas-M small molecule compound
ethyl 4,5-dimethyl-2-[(3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)amino]thiophene-3-carboxylate
Catalog ID
STK543676
SMILES CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCN(CC2)/C=C/c2ccccc2)sc(c1C)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 C29H31N5O2S MW 513.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O2S/c1-4-36-29(35)25-20(2)21(3)37-28(25)32-26-27(31-24-13-9-8-12-23(24)30-26)34-18-16-33(17-19-34)15-14-22-10-6-5-7-11-22/h5-15H,4,16-19H2,1-3H3,(H,30,32)/b15-14+InChIKey
VWVONDWYCPQUGP-CCEZHUSRSA-NSynonyms
497942-73-1(E)ethyl45dimethyl2((3(4styrylpiperazin1yl)quinoxalin2yl)amino)thiophene3carboxylate
497942731
CCOC(=O)C1=C(SC(=C1C)C)NC2=NC3=CC=CC=C3N=C2N4CCN(CC4)C=CC5=CC=CC=C5
CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCN(CC2)C=Cc2ccccc2)sc(c1C)C
ethyl45dimethyl2((3(4((E)2phenylethenyl)piperazin1yl)quinoxalin2yl)amino)thiophene3carboxylate
InChI=1SC29H31N5O2Sc143629(35)2520(2)21(3)3728(25)322627(312413981223(24)3026)34181633(171934)151422106571122h515H41619H213H3(H3032)b1514+
MFCD03301425
ZINC000049625140
ZINC49625140
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