Vitas-M small molecule compound
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-8-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]oct-6-yl)methyl]-4H-chromen-7-olate
Catalog ID
STL532458
SMILES [O-]c1ccc2c(c1C[NH+]1CC3(CC1CC(C3)(C)C)C)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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-27(2)11-18-12-28(3,15-27)16-29(18)13-20-22(30)6-5-19-25(31)21(14-34-26(19)20)17-4-7-23-24(10-17)33-9-8-32-23/h4-7,10,14,18,30H,8-9,11-13,15-16H2,1-3H3InChIKey
WIMLOHBGWSTMRH-UHFFFAOYSA-NSynonyms
637751-94-13(23dihydro14benzodioxin6yl)4oxo8((133trimethyl6azoniabicyclo(321)oct6yl)methyl)4Hchromen7olate
3(23dihydro14benzodioxin6yl)4oxo8((133trimethyl6azoniabicyclo(321)octan6yl)methyl)chromen7olate
44663572
637751941
MFCD04145713
ZINC000100651417
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