Vitas-M small molecule compound

4-{(5Z)-5-[3-methoxy-4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid

Catalog ID
STK994939
SMILES CCCCCCCCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)CCCC(=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 C23H31NO5S2 MW 465.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO5S2/c1-3-4-5-6-7-8-14-29-18-12-11-17(15-19(18)28-2)16-20-22(27)24(23(30)31-20)13-9-10-21(25)26/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,25,26)/b20-16-
InChIKey
WYYKLDJVHFLYDH-SILNSSARSA-N
Synonyms

4((5Z)5((3METHOXY4OCTOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4((5Z)5(3methoxy4(octyloxy)benzylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4(5((3METHOXY4OCTYLOXYPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOICACID
CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)O)OC
CCCCCCCCOc1ccc(cc1OC)C=C1SC(=S)N(C1=O)CCCC(=O)O
InChI=1SC23H31NO5S2c1345678142918121117(1519(18)282)162022(27)24(23(30)3120)1391021(25)26h11121516H3101314H212H3(H2526)b2016
MFCD06258771
ZINC000097946019
ZINC97946019

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Available files

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