Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-3-hydroxyphenolate
Catalog ID
STL049372
SMILES COc1cccc(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 C19H16N8O5 MW 436.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N8O5/c1-31-13-4-2-3-10(7-13)16-15(22-26-27(16)18-17(20)24-32-25-18)19(30)23-21-9-11-5-6-12(28)8-14(11)29/h2-9,28-29H,1H3,(H2,20,24)(H,23,30)/b21-9+InChIKey
LWQVNZKNSGBSMJ-ZVBGSRNCSA-NSynonyms
849011-34-34((E)(2((1(4ammonio125oxadiazol3yl)5(3methoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)3hydroxyphenolate
849011343
COc1cccc(c1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1ccc(cc1O)(O)
MFCD05680608
ZINC000001889997
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