Vitas-M small molecule compound
methyl 4-[(Z)-{3-[2-(4-methylphenyl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]benzoate
Catalog ID
STL296985
SMILES COC(=O)c1ccc(cc1)/C=C/1\SC(=O)N(C1=O)CC(=O)c1ccc(cc1)C
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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 C21H17NO5S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO5S/c1-13-3-7-15(8-4-13)17(23)12-22-19(24)18(28-21(22)26)11-14-5-9-16(10-6-14)20(25)27-2/h3-11H,12H2,1-2H3/b18-11-InChIKey
NKXCNSSJOACHEM-WQRHYEAKSA-NSynonyms
CC1=CC=C(C=C1)C(=O)CN2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)SC2=O
COC(=O)c1ccc(cc1)C=C1SC(=O)N(C1=O)CC(=O)c1ccc(cc1)C
InChI=1SC21H17NO5Sc1133715(8413)17(23)122219(24)18(2821(22)26)11145916(10614)20(25)272h311H12H212H3b1811
methyl4((Z)(3(2(4methylphenyl)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)benzoate
MFCD03704965
ZINC000001165902
ZINC01165902
ZINC1165902
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Check stock on Vitas-MAvailable files
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