Vitas-M small molecule compound
methyl (2-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
Catalog ID
STL374996
SMILES COC(=O)COc1ccccc1/C=C/1\SC(=S)N(C1=O)Cc1ccc(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 C21H19NO4S2 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4S2/c1-14-7-9-15(10-8-14)12-22-20(24)18(28-21(22)27)11-16-5-3-4-6-17(16)26-13-19(23)25-2/h3-11H,12-13H2,1-2H3/b18-11-InChIKey
YQEORNLOZLFDEZ-WQRHYEAKSA-NSynonyms
CC1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=CC=C3OCC(=O)OC)SC2=S
COC(=O)COc1ccccc1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)C
InChI=1SC21H19NO4S2c1147915(10814)122220(24)18(2821(22)27)1116534617(16)261319(23)252h311H1213H212H3b1811
methyl(2((Z)(3(4methylbenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)acetate
METHYL2(2((Z)(3((4METHYLPHENYL)METHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
MFCD03721424
ZINC000001131421
ZINC01131421
ZINC1131421
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