Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-4-bromophenyl benzoate
Catalog ID
STK554922
SMILES Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1c1ccccc1)c1nonc1N)OC(=O)c1ccccc1
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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 C25H17BrN8O4 MW 573.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17BrN8O4/c26-18-11-12-19(37-25(36)16-9-5-2-6-10-16)17(13-18)14-28-30-24(35)20-21(15-7-3-1-4-8-15)34(33-29-20)23-22(27)31-38-32-23/h1-14H,(H2,27,31)(H,30,35)/b28-14+InChIKey
UGEUFNWXHAZKAJ-CCVNUDIWSA-NSynonyms
(2((E)((1(4AMINO125OXADIAZOL3YL)5PHENYLTRIAZOLE4CARBONYL)HYDRAZINYLIDENE)METHYL)4BROMOPHENYL)BENZOATE
(E)2((2(1(4amino125oxadiazol3yl)5phenyl1H123triazole4carbonyl)hydrazono)methyl)4bromophenylbenzoate
2((E)(2((1(4amino125oxadiazol3yl)5phenyl1H123triazol4yl)carbonyl)hydrazinylidene)methyl)4bromophenylbenzoate
Brc1ccc(c(c1)C=NNC(=O)c1nnn(c1c1ccccc1)c1nonc1N)OC(=O)c1ccccc1
C1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=CC(=C4)Br)OC(=O)C5=CC=CC=C5
InChI=1SC25H17BrN8O4c2618111219(3725(36)1695261016)17(1318)14283024(35)2021(157314815)34(332920)2322(27)31383223h114H(H22731)(H3035)b2814+
MFCD03333135
ZINC000001880536
ZINC35973874
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