Vitas-M small molecule compound

(5E,5'E)-3,3'-hexane-1,6-diylbis[5-(4-hydroxy-3-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one]

Catalog ID
STL001110
SMILES COc1cc(ccc1O)/C=C\1/SC(=S)N(C1=O)CCCCCCN1C(=S)S/C(=C/c2ccc(c(c2)OC)O)/C1=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 C28H28N2O6S4 MW 616.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O6S4/c1-35-21-13-17(7-9-19(21)31)15-23-25(33)29(27(37)39-23)11-5-3-4-6-12-30-26(34)24(40-28(30)38)16-18-8-10-20(32)22(14-18)36-2/h7-10,13-16,31-32H,3-6,11-12H2,1-2H3/b23-15+,24-16+
InChIKey
FFSSPDCUTNQHHZ-DFEHQXHXSA-N
Synonyms

(5E)5((4hydroxy3methoxyphenyl)methylidene)3(6((5E)5((4hydroxy3methoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)hexyl)2sulfanylidene13thiazolidin4one
(5E5E)33(hexane16diyl)bis(5(4hydroxy3methoxybenzylidene)2thioxothiazolidin4one)
(5E5E)33hexane16diylbis(5(4hydroxy3methoxybenzylidene)2thioxo13thiazolidin4one)
5((4HYDROXY3METHOXYPHENYL)METHYLENE)3(6(5((4HYDROXY3METHOXYPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))HEXYL)2THIOXO13THIAZOLIDIN4ONE
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CCCCCCN3C(=O)C(=CC4=CC(=C(C=C4)O)OC)SC3=S)O
COc1cc(ccc1O)C=C1SC(=S)N(C1=O)CCCCCCN1C(=S)SC(=Cc2ccc(c(c2)OC)O)C1=O
InChI=1SC28H28N2O6S4c135211317(7919(21)31)152325(33)29(27(37)3923)115346123026(34)24(4028(30)38)161881020(32)22(1418)362h71013163132H361112H212H3b2315+2416+
MFCD02077639
ZINC000100298181
ZINC100298181

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Available files

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