Vitas-M small molecule compound

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

Catalog ID
STK545203
SMILES CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(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 C25H27NO4S2 MW 469.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO4S2/c1-2-3-4-5-6-7-16-30-21-14-8-18(9-15-21)17-22-23(27)26(25(31)32-22)20-12-10-19(11-13-20)24(28)29/h8-15,17H,2-7,16H2,1H3,(H,28,29)/b22-17-
InChIKey
BVUBENUSKBFAEN-XLNRJJMWSA-N
Synonyms
641997-07-1
(Z)4(5(4(octyloxy)benzylidene)4oxo2thioxothiazolidin3yl)benzoicacid
4((5Z)5((4OCTOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BENZOICACID
4((5Z)5(4(octyloxy)benzylidene)4oxo2thioxo13thiazolidin3yl)benzoicacid
641997071
CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O
CCCCCCCCOc1ccc(cc1)C=C1SC(=S)N(C1=O)c1ccc(cc1)C(=O)O
InChI=1SC25H27NO4S2c123456716302114818(91521)172223(27)26(25(31)3222)20121019(111320)24(28)29h81517H2716H21H3(H2829)b2217
MFCD03667659
ZINC000100927653
ZINC100927653

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Available files

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