Vitas-M small molecule compound
[(5E)-5-(3,5-dibromo-4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL428647
SMILES COc1c(Br)cc(cc1Br)/C=C\1/SC(=S)N(C1=O)CC(=O)O
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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 C13H9Br2NO4S2 MW 467.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9Br2NO4S2/c1-20-11-7(14)2-6(3-8(11)15)4-9-12(19)16(5-10(17)18)13(21)22-9/h2-4H,5H2,1H3,(H,17,18)/b9-4+InChIKey
WNONHIOFYDONKR-RUDMXATFSA-NSynonyms
((5E)5(35dibromo4methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((35dibromo4methoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
COC1=C(C=C(C=C1Br)C=C2C(=O)N(C(=S)S2)CC(=O)O)Br
COc1c(Br)cc(cc1Br)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC13H9Br2NO4S2c120117(14)26(38(11)15)4912(19)16(510(17)18)13(21)229h24H5H21H3(H1718)b94+
MFCD04084421
ZINC000009310499
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