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AMZ30

CAS No.:
1313613-09-0
Catalog Number:
AG009CGU
Molecular Formula:
C19H12FN3O6S2
Molecular Weight:
461.4435
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$257
- +
Product Description
Catalog Number:
AG009CGU
Chemical Name:
AMZ30
CAS Number:
1313613-09-0
Molecular Formula:
C19H12FN3O6S2
Molecular Weight:
461.4435
MDL Number:
MFCD28900741
IUPAC Name:
(E)-2-(4-fluorophenyl)sulfonyl-3-[1-(3-nitrophenyl)sulfonylpyrrol-2-yl]prop-2-enenitrile
InChI:
InChI=1S/C19H12FN3O6S2/c20-14-6-8-17(9-7-14)30(26,27)19(13-21)11-15-4-2-10-22(15)31(28,29)18-5-1-3-16(12-18)23(24)25/h1-12H/b19-11+
InChI Key:
GUCUORSUHTZMBW-YBFXNURJSA-N
SMILES:
N#C/C(=C\c1cccn1S(=O)(=O)c1cccc(c1)[N+](=O)[O-])/S(=O)(=O)c1ccc(cc1)F
Properties
Complexity:
963  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
461.015g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.438g/mol
Monoisotopic Mass:
461.015g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Discovery and optimization of sulfonyl acrylonitriles as selective, covalent inhibitors of protein phosphatase methylesterase-1. Journal of medicinal chemistry 20110728
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties