Vitas-M small molecule compound

4-butyl-8-methyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate

Catalog ID
STL459878
SMILES CCCCc1cc(=O)oc2c1ccc(c2C)OC(=O)c1cccc(c1)OC

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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 C22H22O5 MW 366.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O5/c1-4-5-7-15-13-20(23)27-21-14(2)19(11-10-18(15)21)26-22(24)16-8-6-9-17(12-16)25-3/h6,8-13H,4-5,7H2,1-3H3
InChIKey
XVSGVTSEFIJIAW-UHFFFAOYSA-N
Synonyms
670244-73-2
(4BUTYL8METHYL2OXOCHROMEN7YL)3METHOXYBENZOATE
4butyl8methyl2oxo2Hchromen7yl3methoxybenzoate
670244732
CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C3=CC(=CC=C3)OC
InChI=1SC22H22O5c1457151320(23)272114(2)19(111018(15)21)2622(24)1686917(1216)253h6813H457H213H3
MFCD03661952
ZINC000002091448
ZINC02091448
ZINC2091448

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Available files

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