Vitas-M small molecule compound
ethyl 5-ethyl-2-[(3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}quinoxalin-2-yl)amino]thiophene-3-carboxylate
Catalog ID
STK588532
SMILES CCOC(=O)c1cc(sc1Nc1nc2ccccc2nc1N1CCN(CC1)C/C=C/c1ccccc1)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 C30H33N5O2S MW 527.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O2S/c1-3-23-21-24(30(36)37-4-2)29(38-23)33-27-28(32-26-15-9-8-14-25(26)31-27)35-19-17-34(18-20-35)16-10-13-22-11-6-5-7-12-22/h5-15,21H,3-4,16-20H2,1-2H3,(H,31,33)/b13-10+InChIKey
QPMIMUBFZKYWCX-JLHYYAGUSA-NSynonyms
749896-54-6(E)ethyl2((3(4cinnamylpiperazin1yl)quinoxalin2yl)amino)5ethylthiophene3carboxylate
749896546
CCC1=CC(=C(S1)NC2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC=CC5=CC=CC=C5)C(=O)OCC
CCOC(=O)c1cc(sc1Nc1nc2ccccc2nc1N1CCN(CC1)CC=Cc1ccccc1)CC
ethyl5ethyl2((3(4((2E)3phenylprop2en1yl)piperazin1yl)quinoxalin2yl)amino)thiophene3carboxylate
ETHYL5ETHYL2((3(4((E)3PHENYLPROP2ENYL)PIPERAZIN1YL)QUINOXALIN2YL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC30H33N5O2Sc13232124(30(36)3742)29(3823)332728(322615981425(26)3127)35191734(182035)16101322116571222h51521H341620H212H3(H3133)b1310+
MFCD06335558
ZINC000009236443
ZINC9236443
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