Vitas-M small molecule compound
2-{(5E)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Catalog ID
STK995282
SMILES CCC(N1C(=S)S/C(=C/c2cccn2C)/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 C13H14N2O3S2 MW 310.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O3S2/c1-3-9(12(17)18)15-11(16)10(20-13(15)19)7-8-5-4-6-14(8)2/h4-7,9H,3H2,1-2H3,(H,17,18)/b10-7+InChIKey
XTGUPMZDWXYAEP-JXMROGBWSA-NSynonyms
(Z)2(5((1methyl1Hpyrrol2yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
2((5E)5((1methyl1Hpyrrol2yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
2((5E)5((1METHYLPYRROL2YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
CCC(C(=O)O)N1C(=O)C(=CC2=CC=CN2C)SC1=S
CCC(N1C(=S)SC(=Cc2cccn2C)C1=O)C(=O)O
InChI=1SC13H14N2O3S2c139(12(17)18)1511(16)10(2013(15)19)7854614(8)2h479H3H212H3(H1718)b107+
MFCD18185196
ZINC000005967700
ZINC000005967730
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