Vitas-M small molecule compound
5-amino-1-(4-bromo-2-fluorobenzyl)-N-(2,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL081551
SMILES COc1cc(OC)ccc1NC(=O)c1nnn(c1N)Cc1ccc(cc1F)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 C18H17BrFN5O3 MW 450.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrFN5O3/c1-27-12-5-6-14(15(8-12)28-2)22-18(26)16-17(21)25(24-23-16)9-10-3-4-11(19)7-13(10)20/h3-8H,9,21H2,1-2H3,(H,22,26)InChIKey
NPFFEYUEOARODI-UHFFFAOYSA-NSynonyms
5amino1((4bromo2fluorophenyl)methyl)N(24dimethoxyphenyl)triazole4carboxamide
5amino1(4bromo2fluorobenzyl)N(24dimethoxyphenyl)1H123triazole4carboxamide
COC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N)OC
InChI=1SC18H17BrFN5O3c127125614(15(812)282)2218(26)1617(21)25(242316)9103411(19)713(10)20h38H921H212H3(H2226)
MFCD14770009
ZINC000008597945
ZINC08597945
ZINC8597945
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