Vitas-M small molecule compound
(5E)-5-(3-bromo-2-hydroxy-5-nitrobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL427822
SMILES CCN1C(=S)S/C(=C/c2cc(cc(c2O)Br)[N+](=O)[O-])/C1=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 C12H9BrN2O4S2 MW 389.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9BrN2O4S2/c1-2-14-11(17)9(21-12(14)20)4-6-3-7(15(18)19)5-8(13)10(6)16/h3-5,16H,2H2,1H3/b9-4+InChIKey
PQYVNEYUADBGFK-RUDMXATFSA-NSynonyms
(5E)5((3BROMO2HYDROXY5NITROPHENYL)METHYLIDENE)3ETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(3bromo2hydroxy5nitrobenzylidene)3ethyl2thioxo13thiazolidin4one
CCN1C(=O)C(=CC2=CC(=CC(=C2O)Br)(N+)(=O)(O))SC1=S
CCN1C(=S)SC(=Cc2cc(cc(c2O)Br)(N+)(=O)(O))C1=O
InChI=1SC12H9BrN2O4S2c121411(17)9(2112(14)20)4637(15(18)19)58(13)10(6)16h3516H2H21H3b94+
MFCD01152463
ZINC000015011449
ZINC15011449
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