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-chlorophenolate

Catalog ID
STL050216
SMILES COc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cc(Cl)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 C19H15ClN8O4 MW 454.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN8O4/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
MWYQDHYENZHRHH-LSFURLLWSA-N
Synonyms
861141-03-9
2((E)((1(4azaniumyl125oxadiazol3yl)5(3methoxyphenyl)triazole4carbonyl)hydrazinylidene)methyl)4chlorophenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5(3methoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)4chlorophenolate
861141039
COC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3(NH3+))C(=O)NN=CC4=C(C=CC(=C4)Cl)(O)
COc1cccc(c1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1cc(Cl)ccc1(O)
InChI=1SC19H15ClN8O4c1311342310(813)1615(232728(16)1817(21)25322618)19(30)2422911712(20)5614(11)29h2929H1H3(H22125)(H2430)b229+
MFCD05684061
ZINC000001868946

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Available files

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