Vitas-M small molecule compound

methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-4-methylpentanoate

Catalog ID
STL538903
SMILES COCc1cc(=O)c(c(o1)C(C(C)C)CC(=O)OC)O

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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 C14H20O6 MW 284.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20O6/c1-8(2)10(6-12(16)19-4)14-13(17)11(15)5-9(20-14)7-18-3/h5,8,10,17H,6-7H2,1-4H3
InChIKey
ITJKEZJUPIWCMQ-UHFFFAOYSA-N
Synonyms
1574467-27-8
1574467278
71825679
InChI=1SC14H20O6c18(2)10(612(16)194)1413(17)11(15)59(2014)7183h581017H67H214H3
methyl3(3hydroxy6(methoxymethyl)4oxo4Hpyran2yl)4methylpentanoate
methyl3(3hydroxy6(methoxymethyl)4oxopyran2yl)4methylpentanoate
MFCD28051978
ZINC000096116321
ZINC000096116322

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Available files

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