Vitas-M small molecule compound

diethyl [1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-2-nitroethyl]propanedioate

Catalog ID
STL435482
SMILES CCOC(=O)C(C(c1cc(OC)c2c(c1OC)OCO2)C[N+](=O)[O-])C(=O)OCC

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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 C18H23NO10 MW 413.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23NO10/c1-5-26-17(20)13(18(21)27-6-2)11(8-19(22)23)10-7-12(24-3)15-16(14(10)25-4)29-9-28-15/h7,11,13H,5-6,8-9H2,1-4H3
InChIKey
DCFKOKJNBHNPCE-UHFFFAOYSA-N
Synonyms

CCOC(=O)C(C(C(N+)(=O)(O))C1=CC(=C2C(=C1OC)OCO2)OC)C(=O)OCC
CCOC(=O)C(C(c1cc(OC)c2c(c1OC)OCO2)C(N+)(=O)(O))C(=O)OCC
diethyl(1(47dimethoxy13benzodioxol5yl)2nitroethyl)propanedioate
diethyl2(1(47dimethoxy13benzodioxol5yl)2nitroethyl)propanedioate
InChI=1SC18H23NO10c152617(20)13(18(21)2762)11(819(22)23)10712(243)1516(14(10)254)2992815h71113H5689H214H3
MFCD25975427
ZINC000066088510
ZINC000066088512

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Available files

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