Vitas-M small molecule compound
(5E)-5-(4-bromo-3-nitrobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL420623
SMILES CCN1C(=S)S/C(=C/c2ccc(c(c2)[N+](=O)[O-])Br)/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 C12H9BrN2O3S2 MW 373.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9BrN2O3S2/c1-2-14-11(16)10(20-12(14)19)6-7-3-4-8(13)9(5-7)15(17)18/h3-6H,2H2,1H3/b10-6+InChIKey
WPHPNAAUVWAVLZ-UXBLZVDNSA-NSynonyms
(5E)5((4bromo3nitrophenyl)methylidene)3ethyl2sulfanylidene13thiazolidin4one
(5E)5(4bromo3nitrobenzylidene)3ethyl2thioxo13thiazolidin4one
CCN1C(=O)C(=CC2=CC(=C(C=C2)Br)(N+)(=O)(O))SC1=S
CCN1C(=S)SC(=Cc2ccc(c(c2)(N+)(=O)(O))Br)C1=O
InChI=1SC12H9BrN2O3S2c121411(16)10(2012(14)19)67348(13)9(57)15(17)18h36H2H21H3b106+
MFCD05134240
ZINC000009310719
ZINC09310719
ZINC9310719
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