Vitas-M small molecule compound

ethyl 2-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-1-benzofuran-3-carboxylate

Catalog ID
STK887876
SMILES CCOC(=O)c1c(C)oc2c1cc(OC/C=C/c1ccccc1)cc2

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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 C21H20O4 MW 336.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O4/c1-3-23-21(22)20-15(2)25-19-12-11-17(14-18(19)20)24-13-7-10-16-8-5-4-6-9-16/h4-12,14H,3,13H2,1-2H3/b10-7+
InChIKey
LBOOQEPIEGDRES-JXMROGBWSA-N
Synonyms
307552-16-5
307552165
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC=CC3=CC=CC=C3)C
CCOC(=O)c1c(C)oc2c1cc(OCC=Cc1ccccc1)cc2
ethyl2methyl5(((2E)3phenylprop2en1yl)oxy)1benzofuran3carboxylate
ETHYL2METHYL5((E)3PHENYLPROP2ENOXY)1BENZOFURAN3CARBOXYLATE
ETHYL5((2E)3PHENYLPROP2ENYLOXY)2METHYLBENZO(B)FURAN3CARBOXYLATE
ethyl5(cinnamyloxy)2methylbenzofuran3carboxylate
InChI=1SC21H20O4c132321(22)2015(2)2519121117(1418(19)20)2413710168546916h41214H313H212H3b107+
MFCD01955329
ZINC000001797698
ZINC01797698
ZINC1797698

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Available files

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