Vitas-M small molecule compound
2-[(5E)-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Catalog ID
STL036086
SMILES CCCCC(N1C(=S)S/C(=C/c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])C)/C1=O)C(=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 C21H20N2O6S2 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6S2/c1-3-4-5-15(20(25)26)22-19(24)18(31-21(22)30)11-14-8-9-17(29-14)13-7-6-12(2)16(10-13)23(27)28/h6-11,15H,3-5H2,1-2H3,(H,25,26)/b18-11+InChIKey
IKJDNVCADYHHGG-WOJGMQOQSA-NSynonyms
2((5E)5((5(4methyl3nitrophenyl)furan2yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)hexanoicacid
2((5E)5((5(4methyl3nitrophenyl)furan2yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
CCCCC(C(=O)O)N1C(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)C)(N+)(=O)(O))SC1=S
CCCCC(N1C(=S)SC(=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))C)C1=O)C(=O)O
InChI=1SC21H20N2O6S2c134515(20(25)26)2219(24)18(3121(22)30)11148917(2914)137612(2)16(1013)23(27)28h61115H35H212H3(H2526)b1811+
MFCD07997914
ZINC000008823932
ZINC000008823935
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