Vitas-M small molecule compound

methyl {(5E)-5-[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate

Catalog ID
STK152302
SMILES CCOC(=O)COc1cc(Br)c(cc1OC)/C=C\1/SC(=O)N(C1=O)CC(=O)OC

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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 C18H18BrNO8S MW 488.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrNO8S/c1-4-27-16(22)9-28-13-7-11(19)10(5-12(13)25-2)6-14-17(23)20(18(24)29-14)8-15(21)26-3/h5-7H,4,8-9H2,1-3H3/b14-6+
InChIKey
QJSMCQCTABTMIJ-MKMNVTDBSA-N
Synonyms

CCOC(=O)COC1=C(C=C(C(=C1)Br)C=C2C(=O)N(C(=O)S2)CC(=O)OC)OC
CCOC(=O)COc1cc(Br)c(cc1OC)C=C1SC(=O)N(C1=O)CC(=O)OC
InChI=1SC18H18BrNO8Sc142716(22)92813711(19)10(512(13)252)61417(23)20(18(24)2914)815(21)263h57H489H213H3b146+
METHYL((5E)5(2BROMO4(2ETHOXY2OXOETHOXY)5METHOXYBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
METHYL(5(2BROMO4(2ETHOXY2OXOETHOXY)5METHOXYBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
METHYL2((5E)5((2BROMO4(2ETHOXY2OXOETHOXY)5METHOXYPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
MFCD03700061
ZINC000001018568
ZINC01018568
ZINC1018568

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.