Vitas-M small molecule compound

1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one

Catalog ID
STK009483
SMILES CCCC(=O)c1cc2OCCOc2cc1N

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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 C12H15NO3 MW 221.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15NO3/c1-2-3-10(14)8-6-11-12(7-9(8)13)16-5-4-15-11/h6-7H,2-5,13H2,1H3
InChIKey
SSWOJWLEQYQHCP-UHFFFAOYSA-N
Synonyms
444111-26-6
1(6AMINO23DIHYDRO14BENZODIOXIN7YL)BUTAN1ONE
1(7AMINO23DIHYDRO14BENZODIOXIN6YL)BUTAN1ONE
1(7AMINO23DIHYDROBENZO(14)DIOXIN6YL)BUTAN1ONE
1(7AMINO23DIHYDROBENZO(B)(14)DIOXIN6YL)BUTAN1ONE
444111266
CCCC(=O)C1=CC2=C(C=C1N)OCCO2
CCCC(=O)c1cc2OCCOc2cc1N
InChI=1SC12H15NO3c12310(14)861112(79(8)13)16541511h67H2513H21H3
MFCD03196344
STK009483
ZINC000004535278
ZINC04535278
ZINC4535278

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Available files

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