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1000700-26-4
Catalog No.:AA0000QY
1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 4-(3-thioxo-3H-1,2-dithiol-5-yl)phenyl ester | 1000700-26-4
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
1 week  
$85.00
- +
5mg
98%
1 week  
$208.00
- +
10mg
98%
1 week  
$330.00
- +
50mg
98%
1 week  
$1,275.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000QY
Chemical Name:
1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 4-(3-thioxo-3H-1,2-dithiol-5-yl)phenyl ester
CAS Number:
1000700-26-4
Molecular Formula:
C28H20ClNO4S3
Molecular Weight:
566.1107
IUPAC Name:
[4-(5-sulfanylidenedithiol-3-yl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
InChI:
InChI=1S/C28H20ClNO4S3/c1-16-22(14-26(31)34-20-9-5-17(6-10-20)25-15-27(35)37-36-25)23-13-21(33-2)11-12-24(23)30(16)28(32)18-3-7-19(29)8-4-18/h3-13,15H,14H2,1-2H3
InChI Key:
SJLZXDOBSHEDIF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CC(=O)Oc1ccc(cc1)c1ssc(=S)c1)c(n2C(=O)c1ccc(cc1)Cl)C
Properties
Computed Properties
 
Complexity:
900  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
565.024g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
566.101g/mol
Monoisotopic Mass:
565.024g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7  

Synonyms
 
ATB-343 
1000700-26-4 
J-000028 
SR-01000946345-1 
1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 4-(3-thioxo-3H-1,2-dithiol-5-yl)phenyl ester 
4-(3-Sulfanylidene-3H-1,2-dithiol-5-yl)phenyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate 
SJLZXDOBSHEDIF-UHFFFAOYSA-N 
[4-(5-sulfanylidenedithiol-3-yl)phenyl] 2-[1-(4-chlorobenzoy 
ATB 343 
SCHEMBL12279449 
CTK8E8938 
DTXSID30648590 
HMS3648A18 
ZINC64857736 
RT-017271 
SR-01000946345 
Literature
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