Vitas-M small molecule compound

(7'-bromo-2,2',3,3'-tetrahydro-6,6'-bi-1,4-benzodioxin-7-yl)(cyclopropyl)methanone

Catalog ID
STK947400
SMILES O=C(c1cc2OCCOc2cc1c1cc2OCCOc2cc1Br)C1CC1

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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 C20H17BrO5 MW 417.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrO5/c21-15-10-19-17(24-5-6-26-19)8-13(15)12-7-16-18(25-4-3-23-16)9-14(12)20(22)11-1-2-11/h7-11H,1-6H2
InChIKey
BNUPZSWIYSNEEF-UHFFFAOYSA-N
Synonyms

(7(6bromo23dihydro14benzodioxin7yl)23dihydro14benzodioxin6yl)cyclopropylmethanone
(7bromo2233tetrahydro66bi14benzodioxin7yl)(cyclopropyl)methanone
C1CC1C(=O)C2=CC3=C(C=C2C4=CC5=C(C=C4Br)OCCO5)OCCO3
InChI=1SC20H17BrO5c2115101917(24562619)813(15)1271618(25432316)914(12)20(22)111211h711H16H2
MFCD18180739
ZINC000044928776
ZINC44928776

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Available files

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