untitled.cdx
csChFnd80/01281313562D

 27 28  0  0  0  0  0  0  0  0999 V2000
   12.8537    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8537    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0661    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2785    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2785    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0661    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4910    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7034    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7034    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4910    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4910    8.3878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4910    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6992    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6992    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1241    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1241    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9116    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6992    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9116    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1241    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1241   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9116   11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6992   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3323   11.1830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   27.2354    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   27.2354    0.0000 Cl  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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 11 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
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (1)
75

>  <Formula> (1)
C20H17Cl3N4

>  <MolWeight> (1)
419.73478

>  <Item Name> (1)
Vatalanib dihydrochloride (PTK787)

>  <Catalog Number> (1)
S1101

>  <Synonyms> (1)
ZK222584

>  <Target> (1)
VEGFR, c-Kit, Flt

>  <URL> (1)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

>  <CAS Number> (1)
212141-51-0, 212141-54-3 (free base)

$$$$
