Vitas-M small molecule compound

methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate

Catalog ID
STL545767
SMILES COC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc2c(c1)OCCO2

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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 C21H18O7 MW 382.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18O7/c1-25-18(22)11-14(12-6-7-16-17(10-12)27-9-8-26-16)19-20(23)13-4-2-3-5-15(13)28-21(19)24/h2-7,10,14,23H,8-9,11H2,1H3
InChIKey
VWVSGAODKQJKRQ-UHFFFAOYSA-N
Synonyms
1630852-26-4
1630852264
91636810
InChI=1SC21H18O7c12518(22)1114(12671617(1012)27982616)1920(23)13423515(13)2821(19)24h27101423H8911H21H3
methyl3(23dihydro14benzodioxin6yl)3(4hydroxy2oxo2Hchromen3yl)propanoate
methyl3(23dihydro14benzodioxin6yl)3(4hydroxy2oxochromen3yl)propanoate
METHYL3(23DIHYDROBENZO(B)(14)DIOXIN6YL)3(4HYDROXY2OXO2HCHROMEN3YL)PROPANOATE
MFCD28348944
ZINC000217648215
ZINC000217648293

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Available files

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