Vitas-M small molecule compound
2-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanedioic acid
Catalog ID
STL001879
SMILES CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)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 C22H27NO6S2 MW 465.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO6S2/c1-2-3-4-5-6-7-12-29-16-10-8-15(9-11-16)13-18-20(26)23(22(30)31-18)17(21(27)28)14-19(24)25/h8-11,13,17H,2-7,12,14H2,1H3,(H,24,25)(H,27,28)/b18-13-InChIKey
YKILIQBGTYHWNK-AQTBWJFISA-NSynonyms
(Z)2(5(4(octyloxy)benzylidene)4oxo2thioxothiazolidin3yl)succinicacid
2((5Z)5((4OCTOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANEDIOICACID
2((5Z)5(4(octyloxy)benzylidene)4oxo2thioxo13thiazolidin3yl)butanedioicacid
CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C(CC(=O)O)C(=O)O
CCCCCCCCOc1ccc(cc1)C=C1SC(=S)N(C1=O)C(C(=O)O)CC(=O)O
InChI=1SC22H27NO6S2c123456712291610815(91116)131820(26)23(22(30)3118)17(21(27)28)1419(24)25h8111317H271214H21H3(H2425)(H2728)b1813
MFCD03286276
ZINC000101162842
ZINC000101162844
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