Vitas-M small molecule compound
4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]-2-methoxyphenolate
Catalog ID
STL042926
SMILES COc1cccc(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 C21H20N8O5 MW 464.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8O5/c1-11(12-7-8-15(30)16(10-12)33-3)23-25-21(31)17-18(13-5-4-6-14(9-13)32-2)29(28-24-17)20-19(22)26-34-27-20/h4-10,30H,1-3H3,(H2,22,26)(H,25,31)/b23-11+InChIKey
QVFLGPRRMQMELO-FOKLQQMPSA-NSynonyms
849002-38-64((1E)1(2((1(4ammonio125oxadiazol3yl)5(3methoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)ethyl)2methoxyphenolate
4((E)N((1(4azaniumyl125oxadiazol3yl)5(3methoxyphenyl)triazole4carbonyl)amino)Cmethylcarbonimidoyl)2methoxyphenolate
849002386
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2(NH3+))C3=CC(=CC=C3)OC)C4=CC(=C(C=C4)(O))OC
COc1cccc(c1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=C(c1ccc(c(c1)OC)(O))C
InChI=1SC21H20N8O5c111(127815(30)16(1012)333)232521(31)1718(1354614(913)322)29(282417)2019(22)26342720h41030H13H3(H22226)(H2531)b2311+
MFCD05680032
ZINC000009235213
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