Vitas-M small molecule compound
4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]-2-methoxyphenolate
Catalog ID
STL056544
SMILES CCOc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C(/c1ccc(c(c1)OC)[O-])\C
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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 C22H22N8O5 MW 478.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N8O5/c1-4-34-15-7-5-6-14(10-15)19-18(25-29-30(19)21-20(23)27-35-28-21)22(32)26-24-12(2)13-8-9-16(31)17(11-13)33-3/h5-11,31H,4H2,1-3H3,(H2,23,27)(H,26,32)/b24-12+InChIKey
VHWGZTXEZHUUCM-WYMPLXKRSA-NSynonyms
862197-92-04((1E)1(2((1(4ammonio125oxadiazol3yl)5(3ethoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)ethyl)2methoxyphenolate
4((E)N((1(4azaniumyl125oxadiazol3yl)5(3ethoxyphenyl)triazole4carbonyl)amino)Cmethylcarbonimidoyl)2methoxyphenolate
862197920
CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3(NH3+))C(=O)NN=C(C)C4=CC(=C(C=C4)(O))OC
CCOc1cccc(c1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=C(c1ccc(c(c1)OC)(O))C
InChI=1SC22H22N8O5c14341575614(1015)1918(252930(19)2120(23)27352821)22(32)262412(2)138916(31)17(1113)333h51131H4H213H3(H22327)(H2632)b2412+
MFCD05696868
ZINC000009358580
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