Vitas-M small molecule compound

{(2E)-2-[(2E)-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzylidene}hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetic acid

Catalog ID
STK099609
SMILES CCOc1cc(/C=N/N=C\2/SC(C(=O)N2)CC(=O)O)cc(c1OCc1ccc(cc1)Cl)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 C21H19BrClN3O5S MW 540.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrClN3O5S/c1-2-30-16-8-13(10-24-26-21-25-20(29)17(32-21)9-18(27)28)7-15(22)19(16)31-11-12-3-5-14(23)6-4-12/h3-8,10,17H,2,9,11H2,1H3,(H,27,28)(H,25,26,29)/b24-10+
InChIKey
IKBGYZKBURKAPP-YSURURNPSA-N
Synonyms

((2E)2((2E)(3BROMO4((4CHLOROBENZYL)OXY)5ETHOXYBENZYLIDENE)HYDRAZINYLIDENE)4OXO13THIAZOLIDIN5YL)ACETICACID
2(2((2E)2((3bromo4((4chlorophenyl)methoxy)5ethoxyphenyl)methylidene)hydrazinyl)4oxo13thiazol5yl)aceticacid
CCOC1=C(C(=CC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)Br)OCC3=CC=C(C=C3)Cl
CCOc1cc(C=NN=C2SC(C(=O)N2)CC(=O)O)cc(c1OCc1ccc(cc1)Cl)Br
InChI=1SC21H19BrClN3O5Sc123016813(102426212520(29)17(3221)918(27)28)715(22)19(16)3111123514(23)6412h381017H2911H21H3(H2728)(H252629)b2410+
MFCD08671130
STK099609
ZINC000097959467
ZINC000097959468

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Available files

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