Vitas-M small molecule compound

ethyl 2-[(5E)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

Catalog ID
STK362523
SMILES CCOC(=O)C(N1C(=O)S/C(=C/c2cc(Br)c(c(c2)OCC)O)/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 C17H18BrNO6S MW 444.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrNO6S/c1-4-24-12-7-10(6-11(18)14(12)20)8-13-15(21)19(17(23)26-13)9(3)16(22)25-5-2/h6-9,20H,4-5H2,1-3H3/b13-8+
InChIKey
MYHUMBNGGNEEAQ-MDWZMJQESA-N
Synonyms
444321-34-0
444321340
CCOC(=O)C(N1C(=O)SC(=Cc2cc(Br)c(c(c2)OCC)O)C1=O)C
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)C(C)C(=O)OCC)Br)O
ethyl2((5E)5((3bromo5ethoxy4hydroxyphenyl)methylidene)24dioxo13thiazolidin3yl)propanoate
ETHYL2((5E)5(3BROMO5ETHOXY4HYDROXYBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
ETHYL2(5((3BROMO5ETHOXY4HYDROXYPHENYL)METHYLENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
InChI=1SC17H18BrNO6Sc142412710(611(18)14(12)20)81315(21)19(17(23)2613)9(3)16(22)2552h6920H45H213H3b138+
MFCD03835389
ZINC000008875149
ZINC000008875150

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Available files

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