Vitas-M small molecule compound
[(5E)-5-{2-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL420596
SMILES COc1cc(/C=C\2/SC(=S)N(C2=O)CC(=O)O)c(cc1OCc1ccc(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 C20H15BrClNO5S2 MW 528.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrClNO5S2/c1-27-15-6-12(7-17-19(26)23(9-18(24)25)20(29)30-17)14(21)8-16(15)28-10-11-2-4-13(22)5-3-11/h2-8H,9-10H2,1H3,(H,24,25)/b17-7+InChIKey
WWWTWTCDLRPTDD-REZTVBANSA-NSynonyms
((5E)5(2bromo4((4chlorobenzyl)oxy)5methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((2bromo4((4chlorophenyl)methoxy)5methoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)Br)OCC3=CC=C(C=C3)Cl
COc1cc(C=C2SC(=S)N(C2=O)CC(=O)O)c(cc1OCc1ccc(cc1)Cl)Br
InChI=1SC20H15BrClNO5S2c12715612(71719(26)23(918(24)25)20(29)3017)14(21)816(15)2810112413(22)5311h28H910H21H3(H2425)b177+
MFCD02630508
ZINC000100747125
ZINC100747125
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