Vitas-M small molecule compound

dibutyl [1,3-benzodioxol-5-yl(phenylamino)methyl]phosphonate

Catalog ID
STK531315
SMILES CCCCOP(=O)(C(c1ccc2c(c1)OCO2)Nc1ccccc1)OCCCC

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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 C22H30NO5P MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30NO5P/c1-3-5-14-27-29(24,28-15-6-4-2)22(23-19-10-8-7-9-11-19)18-12-13-20-21(16-18)26-17-25-20/h7-13,16,22-23H,3-6,14-15,17H2,1-2H3
InChIKey
DDCAESDSEFBKNJ-UHFFFAOYSA-N
Synonyms

(BENZO(13)DIOXOL5YLPHENYLAMINOMETHYL)PHOSPHONICACIDDIBUTYLESTER
CCCCOP(=O)(C(C1=CC2=C(C=C1)OCO2)NC3=CC=CC=C3)OCCCC
dibutyl(13benzodioxol5yl(phenylamino)methyl)phosphonate
dibutyl(benzo(d)(13)dioxol5yl(phenylamino)methyl)phosphonate
InChI=1SC22H30NO5Pc135142729(242815642)22(2319108791119)1812132021(1618)26172520h713162223H36141517H212H3
MFCD01947985
N(13BENZODIOXOL5YL(DIBUTOXYPHOSPHORYL)METHYL)ANILINE
ZINC000001770974
ZINC000001770976

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Available files

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