Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenolate
Catalog ID
STL053196
SMILES CCCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cc(OC)c(c(c1)OC)[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 C17H20N8O5 MW 416.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N8O5/c1-4-5-10-13(20-24-25(10)16-15(18)22-30-23-16)17(27)21-19-8-9-6-11(28-2)14(26)12(7-9)29-3/h6-8,26H,4-5H2,1-3H3,(H2,18,22)(H,21,27)/b19-8+InChIKey
NBAROMBWKIAHIY-UFWORHAWSA-NSynonyms
861638-66-64((E)((1(4azaniumyl125oxadiazol3yl)5propyltriazole4carbonyl)hydrazinylidene)methyl)26dimethoxyphenolate
4((E)(2((1(4ammonio125oxadiazol3yl)5propyl1H123triazol4yl)carbonyl)hydrazinylidene)methyl)26dimethoxyphenolate
861638666
CCCC1=C(N=NN1C2=NON=C2(NH3+))C(=O)NN=CC3=CC(=C(C(=C3)OC)(O))OC
CCCc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1cc(OC)c(c(c1)OC)(O)
InChI=1SC17H20N8O5c1451013(202425(10)1615(18)22302316)17(27)211989611(282)14(26)12(79)293h6826H45H213H3(H21822)(H2127)b198+
MFCD03171121
ZINC000001890827
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