Vitas-M small molecule compound

methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate

Catalog ID
STL542002
SMILES COCc1cc(=O)c(c(o1)C(c1cc(OC)c2c(c1)OCO2)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 C19H20O9 MW 392.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20O9/c1-23-8-11-6-13(20)17(22)18(28-11)12(7-16(21)25-3)10-4-14(24-2)19-15(5-10)26-9-27-19/h4-6,12,22H,7-9H2,1-3H3
InChIKey
IPVPNCCLBQVMPQ-UHFFFAOYSA-N
Synonyms
1574467-92-7
1574467927
71826359
InChI=1SC19H20O9c123811613(20)17(22)18(2811)12(716(21)253)10414(242)1915(510)2692719h461222H79H213H3
methyl3(3hydroxy6(methoxymethyl)4oxo4Hpyran2yl)3(7methoxy13benzodioxol5yl)propanoate
METHYL3(3HYDROXY6(METHOXYMETHYL)4OXO4HPYRAN2YL)3(7METHOXYBENZO(D)(13)DIOXOL5YL)PROPANOATE
methyl3(3hydroxy6(methoxymethyl)4oxopyran2yl)3(7methoxy13benzodioxol5yl)propanoate
MFCD28051428
ZINC000096115272
ZINC000096115273

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Available files

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