Vitas-M small molecule compound
4-[(4-{(Z)-[3-(2-methylpropyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STL364686
SMILES CC(CN1C(=O)S/C(=C\c2ccc(cc2)OCc2ccc(cc2)C(=O)O)/C1=O)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 C22H21NO5S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S/c1-14(2)12-23-20(24)19(29-22(23)27)11-15-5-9-18(10-6-15)28-13-16-3-7-17(8-4-16)21(25)26/h3-11,14H,12-13H2,1-2H3,(H,25,26)/b19-11-InChIKey
PIVGODKYSBPDII-ODLFYWEKSA-NSynonyms
4((4((Z)(3(2methylpropyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)methyl)benzoicacid
CC(C)CN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)SC1=O
CC(CN1C(=O)SC(=Cc2ccc(cc2)OCc2ccc(cc2)C(=O)O)C1=O)C
InChI=1SC22H21NO5Sc114(2)122320(24)19(2922(23)27)11155918(10615)2813163717(8416)21(25)26h31114H1213H212H3(H2526)b1911
MFCD09426458
ZINC000016575212
ZINC16575212
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