Vitas-M small molecule compound
methyl 3-{5-[(E)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL428685
SMILES COC(=O)c1cccc(c1)c1ccc(o1)/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 C22H21NO4S2 MW 427.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4S2/c1-26-21(25)15-7-5-6-14(12-15)18-11-10-17(27-18)13-19-20(24)23(22(28)29-19)16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9H2,1H3/b19-13+InChIKey
OATGUVJSNPZSPQ-CPNJWEJPSA-NSynonyms
COC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)C4CCCCC4
COC(=O)c1cccc(c1)c1ccc(o1)C=C1SC(=S)N(C1=O)C1CCCCC1
InChI=1SC22H21NO4S2c12621(25)1575614(1215)18111017(2718)131920(24)23(22(28)2919)168324916h57101316H2489H21H3b1913+
METHYL3(5((3CYCLOHEXYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)2FURYL)BENZOATE
METHYL3(5((E)(3CYCLOHEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOATE
methyl3(5((E)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)furan2yl)benzoate
MFCD03847649
ZINC000001099148
ZINC01099148
ZINC1099148
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