Vitas-M small molecule compound
1-(4-bromo-3-methylphenyl)-N-(2-ethoxybenzyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STK986649
SMILES CCOc1ccccc1CNC(=O)c1nnn(c1C)c1ccc(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 C20H21BrN4O2 MW 429.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN4O2/c1-4-27-18-8-6-5-7-15(18)12-22-20(26)19-14(3)25(24-23-19)16-9-10-17(21)13(2)11-16/h5-11H,4,12H2,1-3H3,(H,22,26)InChIKey
PCLFUXKYXOOTQD-UHFFFAOYSA-NSynonyms
1(4bromo3methylphenyl)N((2ethoxyphenyl)methyl)5methyltriazole4carboxamide
1(4bromo3methylphenyl)N(2ethoxybenzyl)5methyl1H123triazole4carboxamide
CCOC1=CC=CC=C1CNC(=O)C2=C(N(N=N2)C3=CC(=C(C=C3)Br)C)C
InChI=1SC20H21BrN4O2c142718865715(18)122220(26)1914(3)25(242319)1691017(21)13(2)1116h511H412H213H3(H2226)
MFCD18183544
ZINC000051317884
ZINC51317884
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