Vitas-M small molecule compound
3-methyl-2-[(5E)-5-(3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK994792
SMILES CC(C(N1C(=S)S/C(=C/c2cccc(c2)[N+](=O)[O-])/C1=O)C(=O)O)C
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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 C15H14N2O5S2 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N2O5S2/c1-8(2)12(14(19)20)16-13(18)11(24-15(16)23)7-9-4-3-5-10(6-9)17(21)22/h3-8,12H,1-2H3,(H,19,20)/b11-7+InChIKey
HQCAXLOOJFXWST-YRNVUSSQSA-NSynonyms
3METHYL2((5E)5((3NITROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
3methyl2((5E)5(3nitrobenzylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
CC(C(N1C(=S)SC(=Cc2cccc(c2)(N+)(=O)(O))C1=O)C(=O)O)C
CC(C)C(C(=O)O)N1C(=O)C(=CC2=CC(=CC=C2)(N+)(=O)(O))SC1=S
InChI=1SC15H14N2O5S2c18(2)12(14(19)20)1613(18)11(2415(16)23)7943510(69)17(21)22h3812H12H3(H1920)b117+
MFCD01035598
ZINC000005381450
ZINC000005381490
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