Vitas-M small molecule compound

2-bromo-3-heptyl-5-hydroxynaphthalene-1,4-dione

Catalog ID
STL513833
SMILES CCCCCCCC1=C(Br)C(=O)c2c(C1=O)c(O)ccc2

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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 C17H19BrO3 MW 351.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrO3/c1-2-3-4-5-6-8-12-15(18)17(21)11-9-7-10-13(19)14(11)16(12)20/h7,9-10,19H,2-6,8H2,1H3
InChIKey
MEBRCRWMBFUEDT-UHFFFAOYSA-N
Synonyms
174311-97-8
174311978
2bromo3heptyl5hydroxynaphthalene14dione
3829519
InChI=1SC17H19BrO3c12345681215(18)17(21)11971013(19)14(11)16(12)20h791019H268H21H3
MFCD01543910
ZINC000070673564
ZINC70673564

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Available files

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