Vitas-M small molecule compound
methyl (5-bromo-4-{(E)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)acetate
Catalog ID
STK086296
SMILES COc1cc(/C=C\2/SC(=O)N(C2=O)Cc2ccc(cc2)F)c(cc1OCC(=O)OC)Br
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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 C21H17BrFNO6S MW 510.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrFNO6S/c1-28-16-7-13(15(22)9-17(16)30-11-19(25)29-2)8-18-20(26)24(21(27)31-18)10-12-3-5-14(23)6-4-12/h3-9H,10-11H2,1-2H3/b18-8+InChIKey
ZYNJBPHDDKERFI-QGMBQPNBSA-NSynonyms
COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Br)OCC(=O)OC
COc1cc(C=C2SC(=O)N(C2=O)Cc2ccc(cc2)F)c(cc1OCC(=O)OC)Br
InChI=1SC21H17BrFNO6Sc12816713(15(22)917(16)301119(25)292)81820(26)24(21(27)3118)10123514(23)6412h39H1011H212H3b188+
METHYL(5BROMO4((E)(3(4FLUOROBENZYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
methyl2(5bromo4((E)(3((4fluorophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)acetate
MFCD03906005
STK086296
ZINC000009233438
ZINC09233438
ZINC9233438
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