Vitas-M small molecule compound
4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenolate
Catalog ID
STL042864
SMILES [O-]c1ccc(cc1)/C(=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1[NH3+])/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 C20H16N8O5 MW 448.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N8O5/c1-10(11-2-5-13(29)6-3-11)22-24-20(30)16-17(12-4-7-14-15(8-12)32-9-31-14)28(27-23-16)19-18(21)25-33-26-19/h2-8,29H,9H2,1H3,(H2,21,25)(H,24,30)/b22-10+InChIKey
WQOUCMLMTJUOBO-LSHDLFTRSA-NSynonyms
861115-50-6(O)c1ccc(cc1)C(=NNC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1(NH3+))C
4((1E)1(2((1(4ammonio125oxadiazol3yl)5(13benzodioxol5yl)1H123triazol4yl)carbonyl)hydrazinylidene)ethyl)phenolate
4((E)N((1(4azaniumyl125oxadiazol3yl)5(13benzodioxol5yl)triazole4carbonyl)amino)Cmethylcarbonimidoyl)phenolate
861115506
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2(NH3+))C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)(O)
InChI=1SC20H16N8O5c110(112513(29)6311)222420(30)1617(12471415(812)3293114)28(272316)1918(21)25332619h2829H9H21H3(H22125)(H2430)b2210+
MFCD05682750
ZINC000009307434
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