Vitas-M small molecule compound
3-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic acid
Catalog ID
STK548688
SMILES CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)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/c1-2-3-4-5-6-7-15-30-21-13-11-18(12-14-21)16-22-23(27)26(25(31)32-22)20-10-8-9-19(17-20)24(28)29/h8-14,16-17H,2-7,15H2,1H3,(H,28,29)/b22-16-InChIKey
XDXMNCYFOMQSNQ-JWGURIENSA-NSynonyms
641997-03-7(Z)3(5(4(octyloxy)benzylidene)4oxo2thioxothiazolidin3yl)benzoicacid
3((5Z)5((4OCTOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BENZOICACID
3((5Z)5(4(octyloxy)benzylidene)4oxo2thioxo13thiazolidin3yl)benzoicacid
641997037
CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O
CCCCCCCCOc1ccc(cc1)C=C1SC(=S)N(C1=O)c1cccc(c1)C(=O)O
InChI=1SC25H27NO4S2c1234567153021131118(121421)162223(27)26(25(31)3222)20108919(1720)24(28)29h8141617H2715H21H3(H2829)b2216
MFCD03662886
ZINC000100909835
ZINC100909835
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