Vitas-M small molecule compound
2-{(5E)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Catalog ID
STL035766
SMILES CCC(N1C(=S)S/C(=C/c2ccc(o2)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 C13H13NO4S2 MW 311.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13NO4S2/c1-3-9(12(16)17)14-11(15)10(20-13(14)19)6-8-5-4-7(2)18-8/h4-6,9H,3H2,1-2H3,(H,16,17)/b10-6+InChIKey
RNZOGUSKUZFKOY-UXBLZVDNSA-NSynonyms
853904-04-82((5E)5((5METHYLFURAN2YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
2((5E)5((5methylfuran2yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
2(5((5METHYL(2FURYL))METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOICACID
853904048
CCC(C(=O)O)N1C(=O)C(=CC2=CC=C(O2)C)SC1=S
CCC(N1C(=S)SC(=Cc2ccc(o2)C)C1=O)C(=O)O
InChI=1SC13H13NO4S2c139(12(16)17)1411(15)10(2013(14)19)68547(2)188h469H3H212H3(H1617)b106+
MFCD06737616
ZINC000004478801
ZINC000004478802
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