Vitas-M small molecule compound

methyl 4-({7-[(2,5-dimethylbenzyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate

Catalog ID
STL034377
SMILES COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1cc(C)ccc1C

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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 C26H22O6 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22O6/c1-16-4-5-17(2)19(12-16)14-30-21-10-11-22-23(13-21)31-15-24(25(22)27)32-20-8-6-18(7-9-20)26(28)29-3/h4-13,15H,14H2,1-3H3
InChIKey
JUKJWMCGEBTLAW-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1)C)COC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=C(C=C4)C(=O)OC
InChI=1SC26H22O6c1164517(2)19(1216)14302110112223(1321)311524(25(22)27)32208618(7920)26(28)293h41315H14H213H3
methyl4((7((25dimethylbenzyl)oxy)4oxo4Hchromen3yl)oxy)benzoate
METHYL4(7((25DIMETHYLPHENYL)METHOXY)4OXOCHROMEN3YL)OXYBENZOATE
METHYL4(7((25DIMETHYLPHENYL)METHOXY)4OXOCHROMEN3YLOXY)BENZOATE
MFCD04193772
ZINC000002429155
ZINC02429155
ZINC2429155

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Available files

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