Vitas-M small molecule compound

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

Catalog ID
STL255708
SMILES C=CC(=O)Nc1cc2OCCOc2cc1C(=O)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 C13H13NO4 MW 247.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13NO4/c1-3-13(16)14-10-7-12-11(17-4-5-18-12)6-9(10)8(2)15/h3,6-7H,1,4-5H2,2H3,(H,14,16)
InChIKey
KPHDOIINUUXAFI-UHFFFAOYSA-N
Synonyms

CC(=O)C1=CC2=C(C=C1NC(=O)C=C)OCCO2
InChI=1SC13H13NO4c1313(16)141071211(17451812)69(10)8(2)15h367H145H22H3(H1416)
MFCD24851027
N(7acetyl23dihydro14benzodioxin6yl)prop2enamide
ZINC000080340242
ZINC80340242

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Available files

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