Vitas-M small molecule compound
methyl 2-[(5E)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoate
Catalog ID
STL323772
SMILES COC(=O)C(N1C(=S)S/C(=C/c2ccc(cc2)OC)/C1=O)CC
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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 C16H17NO4S2 MW 351.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO4S2/c1-4-12(15(19)21-3)17-14(18)13(23-16(17)22)9-10-5-7-11(20-2)8-6-10/h5-9,12H,4H2,1-3H3/b13-9+InChIKey
DEKRNPNOBWXXPT-UKTHLTGXSA-NSynonyms
(E)methyl2(5(4methoxybenzylidene)4oxo2thioxothiazolidin3yl)butanoate
CCC(C(=O)OC)N1C(=O)C(=CC2=CC=C(C=C2)OC)SC1=S
COC(=O)C(N1C(=S)SC(=Cc2ccc(cc2)OC)C1=O)CC
InChI=1SC16H17NO4S2c1412(15(19)213)1714(18)13(2316(17)22)9105711(202)8610h5912H4H213H3b139+
METHYL2((5E)5((4METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOATE
methyl2((5E)5(4methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)butanoate
METHYL2(5(4METHOXYBENZYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOATE
MFCD01464981
ZINC000004567617
ZINC000004567618
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