Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-5-(diethylammonio)phenolate
Catalog ID
STL040965
SMILES CCCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1[O-])[NH+](CC)CC
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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 C19H25N9O3 MW 427.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N9O3/c1-4-7-14-16(22-26-28(14)18-17(20)24-31-25-18)19(30)23-21-11-12-8-9-13(10-15(12)29)27(5-2)6-3/h8-11,29H,4-7H2,1-3H3,(H2,20,24)(H,23,30)/b21-11+InChIKey
GMAKZFODSXKBMH-SRZZPIQSSA-NSynonyms
848988-06-72((E)((1(4amino125oxadiazol3yl)5propyltriazole4carbonyl)hydrazinylidene)methyl)5(diethylazaniumyl)phenolate
2((E)(2((1(4amino125oxadiazol3yl)5propyl1H123triazol4yl)carbonyl)hydrazinylidene)methyl)5(diethylammonio)phenolate
848988067
CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=C(C=C(C=C3)(NH+)(CC)CC)(O)
CCCc1c(nnn1c1nonc1N)C(=O)NN=Cc1ccc(cc1(O))(NH+)(CC)CC
InChI=1SC19H25N9O3c1471416(222628(14)1817(20)24312518)19(30)232111128913(1015(12)29)27(52)63h81129H47H213H3(H22024)(H2330)b2111+
MFCD05678671
ZINC000001891278
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