Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK547985
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2C)c2nonc2N)cc(c1OCc1ccccc1Cl)Br
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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 C21H18BrClN8O4 MW 561.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrClN8O4/c1-11-17(26-30-31(11)20-19(24)28-35-29-20)21(32)27-25-9-12-7-14(22)18(16(8-12)33-2)34-10-13-5-3-4-6-15(13)23/h3-9H,10H2,1-2H3,(H2,24,28)(H,27,32)/b25-9+InChIKey
QICOMRLDLWDOBH-YCPBAFNGSA-NSynonyms
(E)1(4amino125oxadiazol3yl)N(3bromo4((2chlorobenzyl)oxy)5methoxybenzylidene)5methyl1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo4((2chlorobenzyl)oxy)5methoxyphenyl)methylidene)5methyl1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(3BROMO4((2CHLOROPHENYL)METHOXY)5METHOXYPHENYL)METHYLIDENEAMINO)5METHYLTRIAZOLE4CARBOXAMIDE
CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4Cl)OC
COc1cc(C=NNC(=O)c2nnn(c2C)c2nonc2N)cc(c1OCc1ccccc1Cl)Br
InChI=1SC21H18BrClN8O4c11117(263031(11)2019(24)28352920)21(32)2725912714(22)18(16(812)332)341013534615(13)23h39H10H212H3(H22428)(H2732)b259+
MFCD01535470
ZINC000002587488
ZINC100325886
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