Vitas-M small molecule compound

1-(1,3-benzodioxol-5-yl)-4-(dimethylamino)butan-1-one

Catalog ID
STL512642
SMILES CN(CCCC(=O)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 C13H17NO3 MW 235.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NO3/c1-14(2)7-3-4-11(15)10-5-6-12-13(8-10)17-9-16-12/h5-6,8H,3-4,7,9H2,1-2H3
InChIKey
LCVZRRUMVAGXTN-UHFFFAOYSA-N
Synonyms

1(13benzodioxol5yl)4(dimethylamino)butan1one
1(benzo(d)(13)dioxol5yl)4(dimethylamino)butan1onehydrochloride
794221
CN(CCCC(=O)c1ccc2c(c1)OCO2)CCl
InChI=1SC13H17NO3c114(2)73411(15)10561213(810)1791612h568H3479H212H3
MFCD01116968
ZINC000000296936
ZINC296936

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Available files

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