Vitas-M small molecule compound

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-8-(pyrrolidinium-1-ylmethyl)-4H-chromen-7-olate

Catalog ID
STL055121
SMILES [O-]c1ccc2c(c1C[NH+]1CCCC1)occ(c2=O)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 C22H21NO5 MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5/c24-18-5-4-15-21(25)17(14-3-6-19-20(11-14)27-10-9-26-19)13-28-22(15)16(18)12-23-7-1-2-8-23/h3-6,11,13,24H,1-2,7-10,12H2
InChIKey
ABFOABXPWKRNOO-UHFFFAOYSA-N
Synonyms
637751-80-5
(O)c1ccc2c(c1C(NH+)1CCCC1)occ(c2=O)c1ccc2c(c1)OCCO2
3(23dihydro14benzodioxin6yl)4oxo8(pyrrolidinium1ylmethyl)4Hchromen7olate

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Available files

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