Vitas-M small molecule compound
2-[(5E)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanoic acid
Catalog ID
STK995172
SMILES CCCC(N1C(=S)S/C(=C/c2ccc(c(c2)OC)O)/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 C16H17NO5S2 MW 367.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO5S2/c1-3-4-10(15(20)21)17-14(19)13(24-16(17)23)8-9-5-6-11(18)12(7-9)22-2/h5-8,10,18H,3-4H2,1-2H3,(H,20,21)/b13-8+InChIKey
JPXWFFXESCCWTD-MDWZMJQESA-NSynonyms
(Z)2(5(4hydroxy3methoxybenzylidene)4oxo2thioxothiazolidin3yl)pentanoicacid
2((5E)5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PENTANOICACID
2((5E)5(4hydroxy3methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)pentanoicacid
CCCC(C(=O)O)N1C(=O)C(=CC2=CC(=C(C=C2)O)OC)SC1=S
CCCC(N1C(=S)SC(=Cc2ccc(c(c2)OC)O)C1=O)C(=O)O
InChI=1SC16H17NO5S2c13410(15(20)21)1714(19)13(2416(17)23)895611(18)12(79)222h581018H34H212H3(H2021)b138+
MFCD18185122
ZINC000027229097
ZINC000027229102
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