Vitas-M small molecule compound
(5E)-5-(3-nitrobenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL418532
SMILES S=C1S/C(=C/c2cccc(c2)[N+](=O)[O-])/C(=O)N1c1ccc(cc1)[N+](=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 C16H9N3O5S2 MW 387.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9N3O5S2/c20-15-14(9-10-2-1-3-13(8-10)19(23)24)26-16(25)17(15)11-4-6-12(7-5-11)18(21)22/h1-9H/b14-9+InChIKey
KOEBINNAVCEWSW-NTEUORMPSA-NSynonyms
(5E)3(4nitrophenyl)5((3nitrophenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)5(3nitrobenzylidene)3(4nitrophenyl)2thioxo13thiazolidin4one
C1=CC(=CC(=C1)(N+)(=O)(O))C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H9N3O5S2c201514(91021313(810)19(23)24)2616(25)17(15)114612(7511)18(21)22h19Hb149+
MFCD02108974
S=C1SC(=Cc2cccc(c2)(N+)(=O)(O))C(=O)N1c1ccc(cc1)(N+)(=O)(O)
ZINC000005201185
ZINC05201185
ZINC5201185
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