Vitas-M small molecule compound

methyl {4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-bromo-6-ethoxyphenoxy}acetate

Catalog ID
STL428618
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)Cc2ccccc2)cc(c1OCC(=O)OC)Br

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C22H20BrNO5S2 MW 522.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO5S2/c1-3-28-17-10-15(9-16(23)20(17)29-13-19(25)27-2)11-18-21(26)24(22(30)31-18)12-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3/b18-11+
InChIKey
WDJHVSDMWWVHTG-WOJGMQOQSA-N
Synonyms

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)Br)OCC(=O)OC
CCOc1cc(C=C2SC(=S)N(C2=O)Cc2ccccc2)cc(c1OCC(=O)OC)Br
InChI=1SC22H20BrNO5S2c1328171015(916(23)20(17)291319(25)272)111821(26)24(22(30)3118)12147546814h411H31213H212H3b1811+
methyl(4((E)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2bromo6ethoxyphenoxy)acetate
methyl2(4((E)(3benzyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2bromo6ethoxyphenoxy)acetate
MFCD04084378
ZINC000101095309

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Available files

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