Vitas-M small molecule compound
1-(4-bromo-3-methylphenyl)-5-methyl-N-(tetrahydrofuran-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STK986681
SMILES O=C(c1nnn(c1C)c1ccc(c(c1)C)Br)NCC1CCCO1
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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 C16H19BrN4O2 MW 379.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19BrN4O2/c1-10-8-12(5-6-14(10)17)21-11(2)15(19-20-21)16(22)18-9-13-4-3-7-23-13/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,18,22)InChIKey
MDUPNOPPBWJLBM-UHFFFAOYSA-NSynonyms
1(4bromo3methylphenyl)5methylN(oxolan2ylmethyl)triazole4carboxamide
1(4bromo3methylphenyl)5methylN(tetrahydrofuran2ylmethyl)1H123triazole4carboxamide
CC1=C(C=CC(=C1)N2C(=C(N=N2)C(=O)NCC3CCCO3)C)Br
InChI=1SC16H19BrN4O2c110812(5614(10)17)2111(2)15(192021)16(22)189134372313h56813H3479H212H3(H1822)
MFCD18183576
ZINC000051317946
ZINC000051317949
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