Vitas-M small molecule compound

2-chloro-5-{5-[(Z)-{3-[(cyclohexylcarbamoyl)amino]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid

Catalog ID
STL417663
SMILES O=C(NN1C(=S)S/C(=C\c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C1=O)NC1CCCCC1

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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 C22H20ClN3O5S2 MW 506.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O5S2/c23-16-8-6-12(10-15(16)20(28)29)17-9-7-14(31-17)11-18-19(27)26(22(32)33-18)25-21(30)24-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,28,29)(H2,24,25,30)/b18-11-
InChIKey
TUQSNDRJDBGDFS-WQRHYEAKSA-N
Synonyms

2chloro5(5((Z)(3((cyclohexylcarbamoyl)amino)4oxo2thioxo13thiazolidin5ylidene)methyl)furan2yl)benzoicacid
2chloro5(5((Z)(3(cyclohexylcarbamoylamino)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)furan2yl)benzoicacid
C1CCC(CC1)NC(=O)NN2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)SC2=S
InChI=1SC22H20ClN3O5S2c23168612(1015(16)20(28)29)179714(3117)111819(27)26(22(32)3318)2521(30)24134213513h61113H15H2(H2829)(H2242530)b1811
MFCD07143160
O=C(NN1C(=S)SC(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C1=O)NC1CCCCC1
ZINC000111848626
ZINC111848626

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Available files

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