Vitas-M small molecule compound
3-{5-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazinylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STL407055
SMILES COc1ccc(cc1)Nc1nc(N/N=C/c2ccc(o2)c2cccc(c2)C(=O)O)nc(n1)Nc1ccccc1
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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 C28H23N7O4 MW 521.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N7O4/c1-38-22-12-10-21(11-13-22)31-27-32-26(30-20-8-3-2-4-9-20)33-28(34-27)35-29-17-23-14-15-24(39-23)18-6-5-7-19(16-18)25(36)37/h2-17H,1H3,(H,36,37)(H3,30,31,32,33,34,35)/b29-17+InChIKey
OKHSTLUYKJNUMC-STBIYBPSSA-NSynonyms
3(5((E)((4anilino6(4methoxyanilino)135triazin2yl)hydrazinylidene)methyl)furan2yl)benzoicacid
3(5((E)(2(4((4methoxyphenyl)amino)6(phenylamino)135triazin2yl)hydrazinylidene)methyl)furan2yl)benzoicacid
COC1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=CC=C3)NN=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O
COc1ccc(cc1)Nc1nc(NN=Cc2ccc(o2)c2cccc(c2)C(=O)O)nc(n1)Nc1ccccc1
InChI=1SC28H23N7O4c13822121021(111322)31273226(30208324920)3328(3427)35291723141524(3923)1865719(1618)25(36)37h217H1H3(H3637)(H3303132333435)b2917+
MFCD00733010
ZINC000016217198
ZINC98064916
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