Vitas-M small molecule compound
2-[(5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid
Catalog ID
STK812887
SMILES COc1cc(/C=C\2/SC(=S)N(C2=O)CCS(=O)(=O)O)cc(c1O)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 C13H12BrNO6S3 MW 454.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12BrNO6S3/c1-21-9-5-7(4-8(14)11(9)16)6-10-12(17)15(13(22)23-10)2-3-24(18,19)20/h4-6,16H,2-3H2,1H3,(H,18,19,20)/b10-6+InChIKey
SIFWDWNISFECFU-UXBLZVDNSA-NSynonyms
2((5E)5((3BROMO4HYDROXY5METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ETHANESULFONICACID
2((5E)5(3bromo4hydroxy5methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)ethanesulfonicacid
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CCS(=O)(=O)O)Br)O
COc1cc(C=C2SC(=S)N(C2=O)CCS(=O)(=O)O)cc(c1O)Br
InChI=1SC13H12BrNO6S3c121957(48(14)11(9)16)61012(17)15(13(22)2310)2324(1819)20h4616H23H21H3(H181920)b106+
MFCD03508623
ZINC000002825385
ZINC2825385
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