Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-4-chlorophenolate
Catalog ID
STL042338
SMILES CCOc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cc(Cl)ccc1[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 C20H17ClN8O4 MW 468.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN8O4/c1-2-32-14-5-3-4-11(9-14)17-16(24-28-29(17)19-18(22)26-33-27-19)20(31)25-23-10-12-8-13(21)6-7-15(12)30/h3-10,30H,2H2,1H3,(H2,22,26)(H,25,31)/b23-10+InChIKey
GDNIEOOZNHYEPV-AUEPDCJTSA-NSynonyms
849920-57-62((E)((1(4azaniumyl125oxadiazol3yl)5(3ethoxyphenyl)triazole4carbonyl)hydrazinylidene)methyl)4chlorophenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5(3ethoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)4chlorophenolate
849920576
CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3(NH3+))C(=O)NN=CC4=C(C=CC(=C4)Cl)(O)
CCOc1cccc(c1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1cc(Cl)ccc1(O)
InChI=1SC20H17ClN8O4c12321453411(914)1716(242829(17)1918(22)26332719)20(31)25231012813(21)6715(12)30h31030H2H21H3(H22226)(H2531)b2310+
MFCD05689296
ZINC000001876029
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