Vitas-M small molecule compound

methyl 4-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate

Catalog ID
STK868797
SMILES CCCCC1(C)OC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)C(=O)OC)/C(=O)O1

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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 C22H22O7 MW 398.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O7/c1-4-5-12-22(2)28-20(24)17(21(25)29-22)13-16-10-11-18(27-16)14-6-8-15(9-7-14)19(23)26-3/h6-11,13H,4-5,12H2,1-3H3/b17-13-
InChIKey
GVDGJUMGEHDYLL-LGMDPLHJSA-N
Synonyms
425650-76-6
425650766
CCCCC1(C)OC(=O)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)OC)C(=O)O1
methyl4(5((2butyl2methyl46dioxo13dioxan5ylidene)methyl)furan2yl)benzoate
MFCD02771851
ZINC000002363817

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Available files

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