Vitas-M small molecule compound
ethyl {2-bromo-6-methoxy-4-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetate
Catalog ID
STL380264
SMILES CCOC(=O)COc1c(Br)cc(cc1OC)/C=C\1/SC(=S)N(C1=O)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 C16H16BrNO5S2 MW 446.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrNO5S2/c1-4-22-13(19)8-23-14-10(17)5-9(6-11(14)21-3)7-12-15(20)18(2)16(24)25-12/h5-7H,4,8H2,1-3H3/b12-7+InChIKey
GJOPKNWSTRDCJW-KPKJPENVSA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1Br)C=C2C(=O)N(C(=S)S2)C)OC
CCOC(=O)COc1c(Br)cc(cc1OC)C=C1SC(=S)N(C1=O)C
ethyl(2bromo6methoxy4((E)(3methyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)acetate
ethyl2(2bromo6methoxy4((E)(3methyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenoxy)acetate
InChI=1SC16H16BrNO5S2c142213(19)8231410(17)59(611(14)213)71215(20)18(2)16(24)2512h57H48H213H3b127+
MFCD28951196
ZINC000098087021
ZINC98087021
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