U0126-EtOH.cdx
csChFnd80/03301510222D

 29 29  0  0  0  0  0  0  0  0999 V2000
    4.9450    8.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7433    9.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5204    8.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4992    7.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7008    6.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9237    7.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    5.3494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4566    4.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6796    5.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4354    3.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    2.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0195    1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4019    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2762    6.7492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0419    2.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2586    3.2153    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4710    2.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4710    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6877    0.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9043    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9043    2.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6877    3.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6877    4.6177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7443    1.2962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0088    5.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7964    6.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5840    5.8092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
  4 16  1  0  0  0  0
 11 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 24 25  1  0  0  0  0
 17 26  1  0  0  0  0
 12 13  3  0  0  0  0
 14 15  3  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1)
2509

>  <Formula> (1)
C20H22N6OS2

>  <MolWeight> (1)
426.55828

>  <Item Name> (1)
U0126-EtOH

>  <Catalog Number> (1)
S1102

>  <Synonyms> (1)
N/A

>  <Target> (1)
MEK

>  <Form> (1)
Free Base

>  <URL> (1)
http://www.selleckchem.com/products/U0126.html

>  <CAS Number> (1)
1173097-76-1

$$$$
