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Product Overview

Product Code

TRC-C381395

CAS Number

120385-96-8

Product Format

Neat

Molecular Formula

C26H26ClNO4S2

Molecular Weight

516.07

Product Categories

TRC

Product Information

Chemical Data

Analyte Name

3,3'-(((3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)methylene)bis(thio))bis-propanoic Acid 1,1'-Dimethyl Ester

CAS Number

120385-96-8

Molecular Formula

C26H26ClNO4S2

Molecular Weight

516.07

Accurate Mass

515.0992

SMILES

COC(=O)CCSC(SCCC(=O)OC)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

InChI

InChI=1S/C26H26ClNO4S2/c1-31-24(29)12-14-33-26(34-15-13-25(30)32-2)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3/b10-6+

IUPAC

methyl 3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-(3-methoxy-3-oxopropyl)sulfanylmethyl]sulfanylpropanoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Intermediate in the preparation of MK-571.

References: Zamboni, R., et al.: J. Med. Chem., 35, 3832 (1992),

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3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester

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