Vitas-M small molecule compound

3,3'-(1,3-benzodioxol-5-ylmethanediyl)bis(4-hydroxy-1,6-dimethylpyridin-2(1H)-one)

Catalog ID
STK853688
SMILES Oc1cc(C)n(c(=O)c1C(c1c(O)cc(n(c1=O)C)C)c1ccc2c(c1)OCO2)C

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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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c1-11-7-14(25)19(21(27)23(11)3)18(13-5-6-16-17(9-13)30-10-29-16)20-15(26)8-12(2)24(4)22(20)28/h5-9,18,25-26H,10H2,1-4H3
InChIKey
OZVBZXRCBNLPFF-UHFFFAOYSA-N
Synonyms
883086-44-0
3(13BENZODIOXOL5YL(2HYDROXY16DIMETHYL4OXOPYRIDIN3YL)METHYL)2HYDROXY16DIMETHYLPYRIDIN4ONE
3(13benzodioxol5yl(4hydroxy16dimethyl2oxopyridin3yl)methyl)4hydroxy16dimethylpyridin2one
33(13benzodioxol5ylmethanediyl)bis(4hydroxy16dimethylpyridin2(1H)one)
33(BENZO(D)(13)DIOXOL5YLMETHYLENE)BIS(4HYDROXY16DIMETHYLPYRIDIN2(1H)ONE)
883086440
CC1=CC(=C(C(=O)N1C)C(C2=CC3=C(C=C2)OCO3)C4=C(C=C(N(C4=O)C)C)O)O
InChI=1SC22H22N2O6c111714(25)19(21(27)23(11)3)18(13561617(913)30102916)2015(26)812(2)24(4)22(20)28h59182526H10H214H3
MFCD07438112
ZINC000007596998
ZINC7596998

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Available files

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