Vitas-M small molecule compound
4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)propyl]phenolate
Catalog ID
STL056750
SMILES CCCOc1ccc(cc1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C(/c1ccc(cc1)[O-])\CC
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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 C23H24N8O4 MW 476.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N8O4/c1-3-13-34-17-11-7-15(8-12-17)20-19(26-30-31(20)22-21(24)28-35-29-22)23(33)27-25-18(4-2)14-5-9-16(32)10-6-14/h5-12,32H,3-4,13H2,1-2H3,(H2,24,28)(H,27,33)/b25-18+InChIKey
HZNBVALVYXVWOS-XIEYBQDHSA-NSynonyms
877789-35-04((1E)1(2((1(4ammonio125oxadiazol3yl)5(4propoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)propyl)phenolate
4((E)N((1(4azaniumyl125oxadiazol3yl)5(4propoxyphenyl)triazole4carbonyl)amino)Cethylcarbonimidoyl)phenolate
877789350
CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3(NH3+))C(=O)NN=C(CC)C4=CC=C(C=C4)(O)
CCCOc1ccc(cc1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=C(c1ccc(cc1)(O))CC
InChI=1SC23H24N8O4c1313341711715(81217)2019(263031(20)2221(24)28352922)23(33)272518(42)145916(32)10614h51232H3413H212H3(H22428)(H2733)b2518+
MFCD05701860
ZINC000009345306
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