Vitas-M small molecule compound
2-(4-bromo-3,5-dimethylphenoxy)-N-(4H-1,2,4-triazol-4-yl)acetamide
Catalog ID
STK123275
SMILES O=C(Nn1cnnc1)COc1cc(C)c(c(c1)C)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 C12H13BrN4O2 MW 325.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13BrN4O2/c1-8-3-10(4-9(2)12(8)13)19-5-11(18)16-17-6-14-15-7-17/h3-4,6-7H,5H2,1-2H3,(H,16,18)InChIKey
MCIFAMJLWIVFEL-UHFFFAOYSA-NSynonyms
587007-09-82(4BROMO35DIMETHYLPHENOXY)N(124TRIAZOL4YL)ACETAMIDE
2(4BROMO35DIMETHYLPHENOXY)N(4H124TRIAZOL4YL)ACETAMIDE
587007098
CC1=CC(=CC(=C1Br)C)OCC(=O)NN2C=NN=C2
InChI=1SC12H13BrN4O2c18310(49(2)12(8)13)19511(18)161761415717h3467H5H212H3(H1618)
MFCD03992782
ZINC000003001817
ZINC03001817
ZINC3001817
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