Vitas-M small molecule compound
2-({4-[(E)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STL428750
SMILES COc1cc(ccc1OCc1ccccc1C#N)/C=C\1/SC(=S)N(C1=O)C1CCCCC1
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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 C25H24N2O3S2 MW 464.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O3S2/c1-29-22-13-17(11-12-21(22)30-16-19-8-6-5-7-18(19)15-26)14-23-24(28)27(25(31)32-23)20-9-3-2-4-10-20/h5-8,11-14,20H,2-4,9-10,16H2,1H3/b23-14+InChIKey
BHSSAWKGBPKRIJ-OEAKJJBVSA-NSynonyms
2((4((E)(3cyclohexyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2methoxyphenoxy)methyl)benzonitrile
2((4((E)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)methyl)benzonitrile
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3CCCCC3)OCC4=CC=CC=C4C#N
COc1cc(ccc1OCc1ccccc1C#N)C=C1SC(=S)N(C1=O)C1CCCCC1
InChI=1SC25H24N2O3S2c129221317(111221(22)301619865718(19)1526)142324(28)27(25(31)3223)2093241020h58111420H2491016H21H3b2314+
MFCD03763159
ZINC000009310676
ZINC09310676
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