Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]phenyl}methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK545918
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2C)c2nonc2N)cc(c1OCc1ccccc1C)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 C22H21BrN8O4 MW 541.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN8O4/c1-12-6-4-5-7-15(12)11-34-19-16(23)8-14(9-17(19)33-3)10-25-27-22(32)18-13(2)31(30-26-18)21-20(24)28-35-29-21/h4-10H,11H2,1-3H3,(H2,24,28)(H,27,32)/b25-10+InChIKey
IURZQWKMRKWVEF-KIBLKLHPSA-NSynonyms
488793-78-8(E)1(4amino125oxadiazol3yl)N(3bromo5methoxy4((2methylbenzyl)oxy)benzylidene)5methyl1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo5methoxy4((2methylbenzyl)oxy)phenyl)methylidene)5methyl1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(3BROMO5METHOXY4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENEAMINO)5METHYLTRIAZOLE4CARBOXAMIDE
488793788
CC1=CC=CC=C1COC2=C(C=C(C=C2Br)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C)OC
COc1cc(C=NNC(=O)c2nnn(c2C)c2nonc2N)cc(c1OCc1ccccc1C)Br
InChI=1SC22H21BrN8O4c112645715(12)11341916(23)814(917(19)333)10252722(32)1813(2)31(302618)2120(24)28352921h410H11H213H3(H22428)(H2732)b2510+
MFCD03292633
ZINC000002341797
ZINC102443016
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