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]benzoate
Catalog ID
STL051812
SMILES CCCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccccc1C(=O)[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 C16H16N8O4 MW 384.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N8O4/c1-2-5-11-12(19-23-24(11)14-13(17)21-28-22-14)15(25)20-18-8-9-6-3-4-7-10(9)16(26)27/h3-4,6-8H,2,5H2,1H3,(H2,17,21)(H,20,25)(H,26,27)/b18-8+InChIKey
QUMZWDDZSCRMTH-QGMBQPNBSA-NSynonyms
861643-52-92((E)((1(4azaniumyl125oxadiazol3yl)5propyltriazole4carbonyl)hydrazinylidene)methyl)benzoate
2((E)(2((1(4ammonio125oxadiazol3yl)5propyl1H123triazol4yl)carbonyl)hydrazinylidene)methyl)benzoate
861643529
CCCC1=C(N=NN1C2=NON=C2(NH3+))C(=O)NN=CC3=CC=CC=C3C(=O)(O)
CCCc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1ccccc1C(=O)(O)
InChI=1SC16H16N8O4c1251112(192324(11)1413(17)21282214)15(25)201889634710(9)16(26)27h3468H25H21H3(H21721)(H2025)(H2627)b188+
MFCD05685938
ZINC000001873778
ZINC33459519
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