Vitas-M small molecule compound

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

Catalog ID
STK178658
SMILES C#CCN1C(=O)S/C(=C/c2ccc(c(c2)Cl)OCc2cccc(c2)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 C21H14ClNO5S MW 427.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClNO5S/c1-2-8-23-19(24)18(29-21(23)27)11-13-6-7-17(16(22)10-13)28-12-14-4-3-5-15(9-14)20(25)26/h1,3-7,9-11H,8,12H2,(H,25,26)/b18-11+
InChIKey
LZZRLWAHOQNNJR-WOJGMQOQSA-N
Synonyms

3((2CHLORO4((E)(24DIOXO3(PROP2YN1YL)13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((2CHLORO4((E)(24DIOXO3PROP2YNYL13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
C#CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)Cl)SC1=O
C#CCN1C(=O)SC(=Cc2ccc(c(c2)Cl)OCc2cccc(c2)C(=O)O)C1=O
InChI=1SC21H14ClNO5Sc1282319(24)18(2921(23)27)11136717(16(22)1013)28121443515(914)20(25)26h137911H812H2(H2526)b1811+
MFCD03068554
ZINC000012342660
ZINC12342660

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Available files

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