ATB-337 - CAS 912758-00-0
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Catalog Number: I011703
CAS Number: 912758-00-0
PubChem Substance ID:355145309
Molecular Formula: C23H15Cl2NO2S3
Molecular Weight:504.458
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | 2-[(2,6-dichlorophenyl)amino]-benzeneacetic acid, 4-(3-thioxo-3H-1,2-dithiol-5-yl)phenyl ester |
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Property
Molecular Formula: | C23H15Cl2NO2S3 |
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Molecular Weight | 504.458 |
Target: | Others |
Solubility | Soluble in DMSO |
Purity | ≥95% |
Storage | Store at -20°C |
Computed Descriptor
IUPAC Name | [4-(5-sulfanylidenedithiol-3-yl)phenyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate |
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InChI | InChI=1S/C23H15Cl2NO2S3/c24-17-5-3-6-18(25)23(17)26-19-7-2-1-4-15(19)12-21(27)28-16-10-8-14(9-11-16)20-13-22(29)31-30-20/h1-11,13,26H,12H2 |
InChIKey | BRDUXOHVEZVAHI-UHFFFAOYSA-N |
SMILES | C1=CC=C(C(=C1)CC(=O)OC2=CC=C(C=C2)C3=CC(=S)SS3)NC4=C(C=CC=C4Cl)Cl |