Vitas-M small molecule compound
4-[(E)-{2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]-2-ethoxyphenyl furan-2-carboxylate
Catalog ID
STL427768
SMILES CCOc1cc(/C=N/Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)ccc1OC(=O)c1ccco1
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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 C27H33N7O4 MW 519.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N7O4/c1-2-36-23-18-20(11-12-21(23)38-24(35)22-10-9-17-37-22)19-28-32-25-29-26(33-13-5-3-6-14-33)31-27(30-25)34-15-7-4-8-16-34/h9-12,17-19H,2-8,13-16H2,1H3,(H,29,30,31,32)/b28-19+InChIKey
KZEFMEMMVOXWHL-TURZUDJPSA-NSynonyms
(4((E)((46di(piperidin1yl)135triazin2yl)hydrazinylidene)methyl)2ethoxyphenyl)furan2carboxylate
4((E)((46DIPIPERIDIN1YL135TRIAZIN2YL)HYDRAZONO)METHYL)2ETHOXYPHENYL2FUROATE
4((E)(2(46di(piperidin1yl)135triazin2yl)hydrazinylidene)methyl)2ethoxyphenylfuran2carboxylate
CCOC1=C(C=CC(=C1)C=NNC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4)OC(=O)C5=CC=CO5
CCOc1cc(C=NNc2nc(nc(n2)N2CCCCC2)N2CCCCC2)ccc1OC(=O)c1ccco1
InChI=1SC27H33N7O4c1236231820(111221(23)3824(35)22109173722)192832252926(33135361433)3127(3025)34157481634h9121719H281316H21H3(H29303132)b2819+
MFCD01012991
ZINC000008872062
ZINC33395762
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