Vitas-M small molecule compound
{(5E)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid
Catalog ID
STK995259
SMILES CCCCCCCCOc1ccc(cc1)/C=C\1/SC(=O)N(C1=O)CC(=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 C20H25NO5S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO5S/c1-2-3-4-5-6-7-12-26-16-10-8-15(9-11-16)13-17-19(24)21(14-18(22)23)20(25)27-17/h8-11,13H,2-7,12,14H2,1H3,(H,22,23)/b17-13+InChIKey
DWEKWSAKQDDCFW-GHRIWEEISA-NSynonyms
((5E)5(4(octyloxy)benzylidene)24dioxo13thiazolidin3yl)aceticacid
(Z)2(5(4(octyloxy)benzylidene)24dioxothiazolidin3yl)aceticacid
2((5E)5((4octoxyphenyl)methylidene)24dioxo13thiazolidin3yl)aceticacid
CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)O
CCCCCCCCOc1ccc(cc1)C=C1SC(=O)N(C1=O)CC(=O)O
InChI=1SC20H25NO5Sc123456712261610815(91116)131719(24)21(1418(22)23)20(25)2717h81113H271214H21H3(H2223)b1713+
MFCD18185183
ZINC000097968965
ZINC97968965
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