Vitas-M small molecule compound
N-[(E)-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STK012306
SMILES COc1ccc(cc1Cn1nc(c(c1C)Br)C)/C=N/n1cnnc1
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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 C16H17BrN6O MW 389.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN6O/c1-11-16(17)12(2)23(21-11)8-14-6-13(4-5-15(14)24-3)7-20-22-9-18-19-10-22/h4-7,9-10H,8H2,1-3H3/b20-7+InChIKey
WUTYIJBLBSFYSD-IFRROFPPSA-NSynonyms
(E)1(3((4bromo35dimethylpyrazol1yl)methyl)4methoxyphenyl)N(124triazol4yl)methanimine
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NN3C=NN=C3)OC)C)Br
COc1ccc(cc1Cn1nc(c(c1C)Br)C)C=Nn1cnnc1
InChI=1SC16H17BrN6Oc11116(17)12(2)23(2111)814613(4515(14)243)72022918191022h47910H8H213H3b207+
MFCD03057529
N((E)(3((4BROMO35DIMETHYL1HPYRAZOL1YL)METHYL)4METHOXYPHENYL)METHYLIDENE)4H124TRIAZOL4AMINE
STK012306
ZINC000004551495
ZINC33763797
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