LM-3872.cdx
csChFnd80/06281611062D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.1486    5.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4078    3.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3086    2.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5940    3.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5073    4.7211    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8022    2.6067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9925    3.2939    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2007    3.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4189    3.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6313    3.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6313    5.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4189    6.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2065    5.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8396    6.0790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8396    3.2839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161    3.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2322    4.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8357    4.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231    3.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0070    2.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4035    2.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3965    1.1600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1804    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0611    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.3007    4.4922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6958    2.0757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0478    3.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0478    5.3815    0.0000 C   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  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
  7 25  2  0  0  0  0
  7 26  2  0  0  0  0
 15 27  1  0  0  0  0
 14 28  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1)
6

>  <Formula> (1)
C17H15N3O6S2

>  <MolWeight> (1)
421.4475

>  <Item Name> (1)
Ro 61-8048

>  <Catalog Number> (1)
S8172

>  <Synonyms> (1)
N/A

>  <Target> (1)
Hydroxylase

>  <Form> (1)
Free Base

>  <URL> (1)
http://www.selleckchem.com/products/ro-61-8048.html

>  <CAS Number> (1)
199666-03-0

$$$$
