Vitas-M small molecule compound

4-({6-[(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoyl}amino)benzoic acid

Catalog ID
STK994002
SMILES COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)Nc1ccc(cc1)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 C24H24N2O5S2 MW 484.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O5S2/c1-31-19-12-6-16(7-13-19)15-20-22(28)26(24(32)33-20)14-4-2-3-5-21(27)25-18-10-8-17(9-11-18)23(29)30/h6-13,15H,2-5,14H2,1H3,(H,25,27)(H,29,30)/b20-15-
InChIKey
KBLRHTXDIOHZOV-HKWRFOASSA-N
Synonyms
300378-24-9
300378249
4((6((5Z)5(4methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)hexanoyl)amino)benzoicacid
4(6((5Z)5((4METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOYLAMINO)BENZOICACID
4(6(5((4METHOXYPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)HEXANOYLAMINO)BENZOICACID
COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)NC3=CC=C(C=C3)C(=O)O
COc1ccc(cc1)C=C1SC(=S)N(C1=O)CCCCCC(=O)Nc1ccc(cc1)C(=O)O
InChI=1SC24H24N2O5S2c1311912616(71319)152022(28)26(24(32)3320)14423521(27)251810817(91118)23(29)30h61315H2514H21H3(H2527)(H2930)b2015
MFCD01035547
ZINC000003864865
ZINC3864865

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Available files

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