Vitas-M small molecule compound
methyl 4-[(5E)-5-(3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate
Catalog ID
STK843554
SMILES COC(=O)c1ccc(cc1)N1C(=S)S/C(=C/c2cccc(c2)[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 C18H12N2O5S2 MW 400.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N2O5S2/c1-25-17(22)12-5-7-13(8-6-12)19-16(21)15(27-18(19)26)10-11-3-2-4-14(9-11)20(23)24/h2-10H,1H3/b15-10+InChIKey
UWXXNBNUKOQMCD-XNTDXEJSSA-NSynonyms
433305-44-3(E)methyl4(5(3nitrobenzylidene)4oxo2thioxothiazolidin3yl)benzoate
433305443
COC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))SC2=S
COC(=O)c1ccc(cc1)N1C(=S)SC(=Cc2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC18H12N2O5S2c12517(22)125713(8612)1916(21)15(2718(19)26)101132414(911)20(23)24h210H1H3b1510+
METHYL4((5E)5((3NITROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BENZOATE
methyl4((5E)5(3nitrobenzylidene)4oxo2thioxo13thiazolidin3yl)benzoate
METHYL4(5((3NITROPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BENZOATE
MFCD02960341
ZINC000004482828
ZINC04482828
ZINC4482828
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