Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-bromophenyl)methylidene]-5-(3-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL320588
SMILES CCOc1cccc(c1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)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 C20H17BrN8O3 MW 497.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN8O3/c1-2-31-15-5-3-4-13(10-15)17-16(24-28-29(17)19-18(22)26-32-27-19)20(30)25-23-11-12-6-8-14(21)9-7-12/h3-11H,2H2,1H3,(H2,22,26)(H,25,30)/b23-11+InChIKey
NVCIMIRDIXKNMR-FOKLQQMPSA-NSynonyms
850731-06-5(E)1(4amino125oxadiazol3yl)N(4bromobenzylidene)5(3ethoxyphenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(4bromophenyl)methylidene)5(3ethoxyphenyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(4BROMOPHENYL)METHYLIDENEAMINO)5(3ETHOXYPHENYL)TRIAZOLE4CARBOXAMIDE
850731065
CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)Br
CCOc1cccc(c1)c1c(nnn1c1nonc1N)C(=O)NN=Cc1ccc(cc1)Br
InChI=1SC20H17BrN8O3c12311553413(1015)1716(242829(17)1918(22)26322719)20(30)252311126814(21)9712h311H2H21H3(H22226)(H2530)b2311+
MFCD05693017
ZINC000002398866
ZINC33365224
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