Vitas-M small molecule compound

N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Catalog ID
STK337975
SMILES Cc1ccc(c(c1)Br)NC(=O)c1ccc2c(c1)OCCO2

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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 C16H14BrNO3 MW 348.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrNO3/c1-10-2-4-13(12(17)8-10)18-16(19)11-3-5-14-15(9-11)21-7-6-20-14/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKey
FYXNGNYPNIBEHO-UHFFFAOYSA-N
Synonyms
851186-05-5
2H3HBENZO(34E)14DIOXIN6YLN(2BROMO4METHYLPHENYL)CARBOXAMIDE
851186055
CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)Br
InChI=1SC16H14BrNO3c1102413(12(17)810)1816(19)11351415(911)21762014h2589H67H21H3(H1819)
MFCD04681700
N(2bromo4methylphenyl)23dihydro14benzodioxine6carboxamide
ZINC000003344618
ZINC03344618
ZINC3344618

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Available files

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