Vitas-M small molecule compound
ethyl 2-[(3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK538285
SMILES CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCN(CC2)/C=C/c2ccccc2)sc2c1CCCC2
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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 C31H33N5O2S MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O2S/c1-2-38-31(37)27-23-12-6-9-15-26(23)39-30(27)34-28-29(33-25-14-8-7-13-24(25)32-28)36-20-18-35(19-21-36)17-16-22-10-4-3-5-11-22/h3-5,7-8,10-11,13-14,16-17H,2,6,9,12,15,18-21H2,1H3,(H,32,34)/b17-16+InChIKey
DWGPTQVJUKXNLS-WUKNDPDISA-NSynonyms
369396-18-9(E)ethyl2((3(4styrylpiperazin1yl)quinoxalin2yl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
369396189
CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C=CC6=CC=CC=C6
CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCN(CC2)C=Cc2ccccc2)sc2c1CCCC2
ethyl2((3(4((E)2phenylethenyl)piperazin1yl)quinoxalin2yl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC31H33N5O2Sc123831(37)272312691526(23)3930(27)342829(332514871324(25)3228)36201835(192136)171622104351122h3578101113141617H26912151821H21H3(H3234)b1716+
MFCD03000310
ZINC000097951266
ZINC97951266
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