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Stf-118804

CAS No.:
894187-61-2
Catalog Number:
AG00GTC8
Molecular Formula:
C25H23N3O4S
Molecular Weight:
461.5328
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$91
- +
5mg
≥95%
1 week
United States
$187
- +
10mg
98%
1 week
United States
$240
- +
50mg
98%
1 week
United States
$690
- +
100mg
98%
1 week
United States
$1123
- +
Product Description
Catalog Number:
AG00GTC8
Chemical Name:
Stf-118804
CAS Number:
894187-61-2
Molecular Formula:
C25H23N3O4S
Molecular Weight:
461.5328
MDL Number:
MFCD14918065
IUPAC Name:
4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
InChI:
InChI=1S/C25H23N3O4S/c1-17-5-11-22(12-6-17)33(30,31)16-23-18(2)32-25(28-23)21-9-7-20(8-10-21)24(29)27-15-19-4-3-13-26-14-19/h3-14H,15-16H2,1-2H3,(H,27,29)
InChI Key:
DLFCEZOMHBPDGI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Cc1nc(oc1C)c1ccc(cc1)C(=O)NCc1cccnc1
Properties
Complexity:
739  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.141g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
461.536g/mol
Monoisotopic Mass:
461.141g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
A human tRNA synthetase is a potent PARP1-activating effector target for resveratrol. Nature 20150319
Properties