Vitas-M small molecule compound
3-[(5E)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
Catalog ID
STL035153
SMILES COc1cc(/C=C\2/SC(=S)N(C2=O)C(c2ccccc2)CC(=O)O)cc(c1OC)OC
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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 C22H21NO6S2 MW 459.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO6S2/c1-27-16-9-13(10-17(28-2)20(16)29-3)11-18-21(26)23(22(30)31-18)15(12-19(24)25)14-7-5-4-6-8-14/h4-11,15H,12H2,1-3H3,(H,24,25)/b18-11+InChIKey
BPAHTSLPFSGIOL-WOJGMQOQSA-NSynonyms
3((5E)4oxo2sulfanylidene5((345trimethoxyphenyl)methylidene)13thiazolidin3yl)3phenylpropanoicacid
3((5E)4oxo2thioxo5(345trimethoxybenzylidene)13thiazolidin3yl)3phenylpropanoicacid
3(4OXO2THIOXO5((345TRIMETHOXYPHENYL)METHYLENE)(13THIAZOLIDIN3YL))3PHENYLPROPANOICACID
COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=S)S2)C(CC(=O)O)C3=CC=CC=C3
COc1cc(C=C2SC(=S)N(C2=O)C(c2ccccc2)CC(=O)O)cc(c1OC)OC
InChI=1SC22H21NO6S2c12716913(1017(282)20(16)293)111821(26)23(22(30)3118)15(1219(24)25)147546814h41115H12H213H3(H2425)b1811+
MFCD07414203
ZINC000012032237
ZINC000012032239
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