Vitas-M small molecule compound
2-chloro-5-{5-[(E)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STL428407
SMILES S=C1S/C(=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C(=O)N1C1CCCCC1
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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 C21H18ClNO4S2 MW 447.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO4S2/c22-16-8-6-12(10-15(16)20(25)26)17-9-7-14(27-17)11-18-19(24)23(21(28)29-18)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,25,26)/b18-11+InChIKey
JIDGMEIDOSXHDA-WOJGMQOQSA-NSynonyms
2CHLORO5(5((E)(3CYCLOHEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2chloro5(5((E)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)furan2yl)benzoicacid
C1CCC(CC1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)SC2=S
InChI=1SC21H18ClNO4S2c22168612(1015(16)20(25)26)179714(2717)111819(24)23(21(28)2918)134213513h61113H15H2(H2526)b1811+
MFCD03144098
S=C1SC(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C(=O)N1C1CCCCC1
ZINC000002989900
ZINC2989900
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