InChI key
WTKZEGDFNFYCGP-UHFFFAOYSA-N
InChI
1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
SMILES string
c1cn[nH]c1
grade
reagent grade
product line
Vetec™
assay
98%
bp
186-188 °C (lit.)
mp
67-70 °C (lit.)
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Legal Information
Vetec is a trademark of Merck KGaA, Darmstadt, Germany
signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1
target_organs
spleen,Thyroid
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Maria Letizia Barreca et al.
Journal of medicinal chemistry, 56(6), 2270-2282 (2013-02-16)
The NS5B RNA-dependent RNA polymerase is an attractive target for the development of novel and selective inhibitors of hepatitis C virus replication. To identify novel structural hits as anti-HCV agents, we performed structure-based virtual screening of our in-house library followed
Babasaheb P Bandgar et al.
Bioorganic & medicinal chemistry letters, 23(3), 912-916 (2013-01-08)
A series of novel pyrazole integrated benzophenones (9a-j) have been designed, synthesized from 1-methyl-5-(2,4,6-trimethoxy-phenyl)-1H-pyrazole 6. The structures of the regioisomers 6 and 7 were determined by 2D (1)H-(1)H COSY, (1)H-(13)C HSQC and (1)H-(13)C HMBC experiments. The newly synthesized compounds (9a-j)
Xinfang Xu et al.
The Journal of organic chemistry, 78(4), 1583-1588 (2013-01-11)
A regiospecific synthesis of multifunctional pyrazoleshas been developed from a cascade process triggered by Rh(II)-catalyzed dinitrogen extrusion from enol diazoacetates with vinylogous nucleophilic addition followed by Lewis acid catalyzed cyclization and aromatization.
Paloma Ovejero et al.
Dalton transactions (Cambridge, England : 2003), 42(6), 2107-2120 (2012-11-29)
New pyridine-functionalised pyrazole compounds [Hpz(R(n)py)] (R(n) = C(6)H(4)OC(n)H(2n+1); n = 12, 14, 16, 18; 1-4) and their corresponding silver complexes [Ag(Hpz(R(n)py))(2)][A] ([A] = NO(3)(-), BF(4)(-); ) have been synthesised and characterised. All of them, with the exception of 1, are
James S Scott et al.
Journal of medicinal chemistry, 55(22), 10136-10147 (2012-10-24)
Inhibition of 11β-HSD1 is viewed as a potential target for the treatment of obesity and other elements of the metabolic syndrome. We report here the optimization of a carboxylic acid class of inhibitors from AZD4017 (1) to the development candidate
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