Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-3-hydroxyphenolate
Catalog ID
STL048011
SMILES CCOc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccc(cc1O)[O-]
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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 C20H18N8O5 MW 450.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N8O5/c1-2-32-14-5-3-4-11(8-14)17-16(23-27-28(17)19-18(21)25-33-26-19)20(31)24-22-10-12-6-7-13(29)9-15(12)30/h3-10,29-30H,2H2,1H3,(H2,21,25)(H,24,31)/b22-10+InChIKey
VXAUQMRYRUPGLZ-LSHDLFTRSA-NSynonyms
850826-02-74((E)(2((1(4ammonio125oxadiazol3yl)5(3ethoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)3hydroxyphenolate
850826027
CCOc1cccc(c1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1ccc(cc1O)(O)
MFCD05694224
ZINC000001853586
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