Vitas-M small molecule compound

methyl 3-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate

Catalog ID
STL425137
SMILES COC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1cccc(c1)OC(F)F

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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 C20H16F2O6 MW 390.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F2O6/c1-26-16(23)10-14(11-5-4-6-12(9-11)27-20(21)22)17-18(24)13-7-2-3-8-15(13)28-19(17)25/h2-9,14,20,24H,10H2,1H3
InChIKey
CIPMRMLGMUNAPT-UHFFFAOYSA-N
Synonyms
1630905-84-8
1630905848
COC(=O)CC(C1=CC(=CC=C1)OC(F)F)C2=C(C3=CC=CC=C3OC2=O)O
InChI=1SC20H16F2O6c12616(23)1014(1154612(911)2720(21)22)1718(24)13723815(13)2819(17)25h29142024H10H21H3
methyl3(3(difluoromethoxy)phenyl)3(4hydroxy2oxo2Hchromen3yl)propanoate
methyl3(3(difluoromethoxy)phenyl)3(4hydroxy2oxochromen3yl)propanoate
MFCD28366957
ZINC000218186935
ZINC000218187006

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Available files

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