Vitas-M small molecule compound
4-[(4-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STL369215
SMILES COCCN1C(=S)S/C(=C\c2ccc(cc2)OCc2ccc(cc2)C(=O)O)/C1=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 C21H19NO5S2 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO5S2/c1-26-11-10-22-19(23)18(29-21(22)28)12-14-4-8-17(9-5-14)27-13-15-2-6-16(7-3-15)20(24)25/h2-9,12H,10-11,13H2,1H3,(H,24,25)/b18-12-InChIKey
QHINHUKWPYSWAC-PDGQHHTCSA-NSynonyms
4((4((Z)(3(2METHOXYETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4((Z)(3(2methoxyethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)methyl)benzoicacid
COCCN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)SC1=S
COCCN1C(=S)SC(=Cc2ccc(cc2)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC21H19NO5S2c12611102219(23)18(2921(22)28)12144817(9514)2713152616(7315)20(24)25h2912H101113H21H3(H2425)b1812
MFCD03705168
ZINC000002953377
ZINC2953377
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