Vitas-M small molecule compound

2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl 2-methoxybenzoate

Catalog ID
STK541366
SMILES COc1cc(/C=C/C(=O)c2cc(F)ccc2OC(=O)c2ccccc2OC)ccc1OC

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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 C25H21FO6 MW 436.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FO6/c1-29-21-7-5-4-6-18(21)25(28)32-22-13-10-17(26)15-19(22)20(27)11-8-16-9-12-23(30-2)24(14-16)31-3/h4-15H,1-3H3/b11-8+
InChIKey
PNLKSSQYNNWELL-DHZHZOJOSA-N
Synonyms
487020-49-5
(2((E)3(34DIMETHOXYPHENYL)PROP2ENOYL)4FLUOROPHENYL)2METHOXYBENZOATE
(E)2(3(34dimethoxyphenyl)acryloyl)4fluorophenyl2methoxybenzoate
2((2E)3(34dimethoxyphenyl)prop2enoyl)4fluorophenyl2methoxybenzoate
2METHOXYBENZOICACID2((E)3(34DIMETHOXYPHENYL)ACRYLOYL)4FLUOROPHENYLESTER
487020495
COC1=C(C=C(C=C1)C=CC(=O)C2=C(C=CC(=C2)F)OC(=O)C3=CC=CC=C3OC)OC
COc1cc(C=CC(=O)c2cc(F)ccc2OC(=O)c2ccccc2OC)ccc1OC
InChI=1SC25H21FO6c12921754618(21)25(28)3222131017(26)1519(22)20(27)1181691223(302)24(1416)313h415H13H3b118+
MFCD03286360
ZINC000009216726
ZINC09216726
ZINC9216726

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Available files

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