Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-4-bromophenolate
Catalog ID
STL056885
SMILES COc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cc(Br)ccc1[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 C19H15BrN8O4 MW 499.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15BrN8O4/c1-31-13-4-2-3-10(8-13)16-15(23-27-28(16)18-17(21)25-32-26-18)19(30)24-22-9-11-7-12(20)5-6-14(11)29/h2-9,29H,1H3,(H2,21,25)(H,24,30)/b22-9+InChIKey
RLVMXKMZEMHJFD-LSFURLLWSA-NSynonyms
849006-92-42((E)((1(4azaniumyl125oxadiazol3yl)5(3methoxyphenyl)triazole4carbonyl)hydrazinylidene)methyl)4bromophenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5(3methoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)4bromophenolate
849006924
COC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3(NH3+))C(=O)NN=CC4=C(C=CC(=C4)Br)(O)
COc1cccc(c1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1cc(Br)ccc1(O)
InChI=1SC19H15BrN8O4c1311342310(813)1615(232728(16)1817(21)25322618)19(30)2422911712(20)5614(11)29h2929H1H3(H22125)(H2430)b229+
MFCD05680365
ZINC000001860327
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