Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-4-chlorophenolate
Catalog ID
STL041617
SMILES CCCc1c(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 C15H15ClN8O3 MW 390.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15ClN8O3/c1-2-3-10-12(19-23-24(10)14-13(17)21-27-22-14)15(26)20-18-7-8-6-9(16)4-5-11(8)25/h4-7,25H,2-3H2,1H3,(H2,17,21)(H,20,26)/b18-7+InChIKey
FRTIPHDNNBAVIW-CNHKJKLMSA-NSynonyms
861109-98-02((E)((1(4azaniumyl125oxadiazol3yl)5propyltriazole4carbonyl)hydrazinylidene)methyl)4chlorophenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5propyl1H123triazol4yl)carbonyl)hydrazinylidene)methyl)4chlorophenolate
861109980
CCCC1=C(N=NN1C2=NON=C2(NH3+))C(=O)NN=CC3=C(C=CC(=C3)Cl)(O)
CCCc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1cc(Cl)ccc1(O)
InChI=1SC15H15ClN8O3c1231012(192324(10)1413(17)21272214)15(26)20187869(16)4511(8)25h4725H23H21H3(H21721)(H2026)b187+
MFCD05682385
ZINC000001739065
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