Vitas-M small molecule compound
3-{(5E)-5-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic acid
Catalog ID
STK123806
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2cccc(c2)C(=O)O)cc(c1O)CC=C
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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 C22H19NO5S2 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO5S2/c1-3-6-14-9-13(10-17(19(14)24)28-4-2)11-18-20(25)23(22(29)30-18)16-8-5-7-15(12-16)21(26)27/h3,5,7-12,24H,1,4,6H2,2H3,(H,26,27)/b18-11+InChIKey
ITDDQRQPOTYRBB-WOJGMQOQSA-NSynonyms
3((5E)5((3ETHOXY4HYDROXY5PROP2ENYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BENZOICACID
3((5E)5(3ETHOXY4HYDROXY5(PROP2EN1YL)BENZYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)BENZOICACID
CCOC1=CC(=CC(=C1O)CC=C)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O
CCOc1cc(C=C2SC(=S)N(C2=O)c2cccc(c2)C(=O)O)cc(c1O)CC=C
InChI=1SC22H19NO5S2c13614913(1017(19(14)24)2842)111820(25)23(22(29)3018)1685715(1216)21(26)27h3571224H146H22H3(H2627)b1811+
MFCD03985860
ZINC000001130594
ZINC1130594
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