Vitas-M small molecule compound

(2E)-3-[3-bromo-4-(carboxymethoxy)-5-methoxyphenyl]prop-2-enoic acid

Catalog ID
STK398194
SMILES COc1cc(/C=C/C(=O)O)cc(c1OCC(=O)O)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 C12H11BrO6 MW 331.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11BrO6/c1-18-9-5-7(2-3-10(14)15)4-8(13)12(9)19-6-11(16)17/h2-5H,6H2,1H3,(H,14,15)(H,16,17)/b3-2+
InChIKey
LHASYDQCYFUWBS-NSCUHMNNSA-N
Synonyms

(2E)3(3bromo4(carboxymethoxy)5methoxyphenyl)prop2enoicacid
(E)3(3bromo4(carboxymethoxy)5methoxyphenyl)prop2enoicacid
COC1=C(C(=CC(=C1)C=CC(=O)O)Br)OCC(=O)O
COc1cc(C=CC(=O)O)cc(c1OCC(=O)O)Br
InChI=1SC12H11BrO6c118957(2310(14)15)48(13)12(9)19611(16)17h25H6H21H3(H1415)(H1617)b32+
MFCD02256514
ZINC000013747384
ZINC13747384

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Available files

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