Vitas-M small molecule compound
1-(4-bromo-3-methylphenyl)-N-(2,5-dimethoxybenzyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STK986653
SMILES COc1ccc(c(c1)CNC(=O)c1nnn(c1C)c1ccc(c(c1)C)Br)OC
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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 C20H21BrN4O3 MW 445.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN4O3/c1-12-9-15(5-7-17(12)21)25-13(2)19(23-24-25)20(26)22-11-14-10-16(27-3)6-8-18(14)28-4/h5-10H,11H2,1-4H3,(H,22,26)InChIKey
ABVNMXQCEHBSTO-UHFFFAOYSA-NSynonyms
1(4bromo3methylphenyl)N((25dimethoxyphenyl)methyl)5methyltriazole4carboxamide
1(4bromo3methylphenyl)N(25dimethoxybenzyl)5methyl1H123triazole4carboxamide
CC1=C(C=CC(=C1)N2C(=C(N=N2)C(=O)NCC3=C(C=CC(=C3)OC)OC)C)Br
InChI=1SC20H21BrN4O3c112915(5717(12)21)2513(2)19(232425)20(26)2211141016(273)6818(14)284h510H11H214H3(H2226)
MFCD18183548
ZINC000051317891
ZINC51317891
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