Vitas-M small molecule compound

4-[(2-{(E)-[3-(1-methoxy-1-oxopropan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid

Catalog ID
STK155195
SMILES COC(=O)C(N1C(=O)S/C(=C/c2ccccc2OCc2ccc(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 C22H19NO7S MW 441.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO7S/c1-13(21(27)29-2)23-19(24)18(31-22(23)28)11-16-5-3-4-6-17(16)30-12-14-7-9-15(10-8-14)20(25)26/h3-11,13H,12H2,1-2H3,(H,25,26)/b18-11+
InChIKey
ZYNRLZXEXVKEHC-WOJGMQOQSA-N
Synonyms

4((2((E)(3(1METHOXY1OXOPROPAN2YL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CC(C(=O)OC)N1C(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)SC1=O
COC(=O)C(N1C(=O)SC(=Cc2ccccc2OCc2ccc(cc2)C(=O)O)C1=O)C
InChI=1SC22H19NO7Sc113(21(27)292)2319(24)18(3122(23)28)1116534617(16)3012147915(10814)20(25)26h31113H12H212H3(H2526)b1811+
MFCD03923345
ZINC000009720804
ZINC000012381071

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Available files

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