Vitas-M small molecule compound
[(5E)-5-(2-hydroxy-5-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL378001
SMILES OC(=O)CN1C(=S)S/C(=C/c2cc(ccc2O)[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 C12H8N2O6S2 MW 340.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8N2O6S2/c15-8-2-1-7(14(19)20)3-6(8)4-9-11(18)13(5-10(16)17)12(21)22-9/h1-4,15H,5H2,(H,16,17)/b9-4+InChIKey
IQMOOQROQJKYOI-RUDMXATFSA-NSynonyms
301343-19-1((5E)5(2hydroxy5nitrobenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((2hydroxy5nitrophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
301343191
C1=CC(=C(C=C1(N+)(=O)(O))C=C2C(=O)N(C(=S)S2)CC(=O)O)O
InChI=1SC12H8N2O6S2c158217(14(19)20)36(8)4911(18)13(510(16)17)12(21)229h1415H5H2(H1617)b94+
MFCD01532312
OC(=O)CN1C(=S)SC(=Cc2cc(ccc2O)(N+)(=O)(O))C1=O
ZINC000003151579
ZINC3151579
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