Vitas-M small molecule compound

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

Catalog ID
STK888310
SMILES COc1cc(/C=C/C(=O)c2cc(F)ccc2OC(=O)c2ccccc2C)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 C25H21FO5 MW 420.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FO5/c1-16-6-4-5-7-19(16)25(28)31-22-13-10-18(26)15-20(22)21(27)11-8-17-9-12-23(29-2)24(14-17)30-3/h4-15H,1-3H3/b11-8+
InChIKey
QJGNQJBDXJSSSR-DHZHZOJOSA-N
Synonyms
1164534-90-0
(2((E)3(34DIMETHOXYPHENYL)PROP2ENOYL)4FLUOROPHENYL)2METHYLBENZOATE
(E)2(3(34dimethoxyphenyl)acryloyl)4fluorophenyl2methylbenzoate
1164534900
2((2E)3(34dimethoxyphenyl)prop2enoyl)4fluorophenyl2methylbenzoate
2METHYLBENZOICACID2((E)3(34DIMETHOXYPHENYL)ACRYLOYL)4FLUOROPHENYLESTER
CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)F)C(=O)C=CC3=CC(=C(C=C3)OC)OC
COc1cc(C=CC(=O)c2cc(F)ccc2OC(=O)c2ccccc2C)ccc1OC
InChI=1SC25H21FO5c116645719(16)25(28)3122131018(26)1520(22)21(27)1181791223(292)24(1417)303h415H13H3b118+
MFCD03304242
ZINC000004279072
ZINC04279072
ZINC4279072

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Available files

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