Vitas-M small molecule compound
(5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL427461
SMILES COc1cc(/C=C\2/SC(=S)N(C2=O)C2CCCCC2)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 C17H18BrNO3S2 MW 428.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrNO3S2/c1-22-13-8-10(7-12(18)15(13)20)9-14-16(21)19(17(23)24-14)11-5-3-2-4-6-11/h7-9,11,20H,2-6H2,1H3/b14-9+InChIKey
BQNSIIWSAGDWIQ-NTEUORMPSA-NSynonyms
(5E)5((3bromo4hydroxy5methoxyphenyl)methylidene)3cyclohexyl2sulfanylidene13thiazolidin4one
(5E)5(3bromo4hydroxy5methoxybenzylidene)3cyclohexyl2thioxo13thiazolidin4one
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3CCCCC3)Br)O
COc1cc(C=C2SC(=S)N(C2=O)C2CCCCC2)cc(c1O)Br
InChI=1SC17H18BrNO3S2c12213810(712(18)15(13)20)91416(21)19(17(23)2414)115324611h791120H26H21H3b149+
MFCD04083071
ZINC000009296523
ZINC09296523
ZINC9296523
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