Vitas-M small molecule compound
N-(3-bromobenzyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Catalog ID
STL111489
SMILES COc1ccc(cc1)c1cc2nn(c(=O)n2c(n1)C)CC(=O)NCc1cccc(c1)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 C22H20BrN5O3 MW 482.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN5O3/c1-14-25-19(16-6-8-18(31-2)9-7-16)11-20-26-27(22(30)28(14)20)13-21(29)24-12-15-4-3-5-17(23)10-15/h3-11H,12-13H2,1-2H3,(H,24,29)InChIKey
WVIWDOGOFBFPPS-UHFFFAOYSA-NSynonyms
CC1=NC(=CC2=NN(C(=O)N12)CC(=O)NCC3=CC(=CC=C3)Br)C4=CC=C(C=C4)OC
InChI=1SC22H20BrN5O3c1142519(166818(312)9716)11202627(22(30)28(14)20)1321(29)24121543517(23)1015h311H1213H212H3(H2429)
MFCD20746370
N((3bromophenyl)methyl)2(7(4methoxyphenyl)5methyl3oxo(124)triazolo(43c)pyrimidin2yl)acetamide
N(3bromobenzyl)2(7(4methoxyphenyl)5methyl3oxo(124)triazolo(43c)pyrimidin2(3H)yl)acetamide
ZINC000067319432
ZINC67319432
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