Vitas-M small molecule compound
5-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenolate
Catalog ID
STL047964
SMILES CCOc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccc(c(c1)[O-])OC
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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 C21H20N8O5 MW 464.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8O5/c1-3-33-14-6-4-5-13(10-14)18-17(24-28-29(18)20-19(22)26-34-27-20)21(31)25-23-11-12-7-8-16(32-2)15(30)9-12/h4-11,30H,3H2,1-2H3,(H2,22,26)(H,25,31)/b23-11+InChIKey
WSBOQMALIDZHHB-FOKLQQMPSA-NSynonyms
849922-20-91(4AMINO125OXADIAZOL3YL)5(3ETHOXYPHENYL)N((E)(3HYDROXY4METHOXYPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
5((E)(2((1(4ammonio125oxadiazol3yl)5(3ethoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2methoxyphenolate
849922209
CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=C(C=C4)OC)O
CCOc1cccc(c1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1ccc(c(c1)(O))OC
InChI=1SC21H20N8O5c13331464513(1014)1817(242829(18)2019(22)26342720)21(31)252311127816(322)15(30)912h41130H3H212H3(H22226)(H2531)b2311+
MFCD05689468
ZINC000001900994
ZINC33345894
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