Vitas-M small molecule compound

4-nitrophenyl 3-bromo-4-methoxybenzoate

Catalog ID
STK011426
SMILES COc1ccc(cc1Br)C(=O)Oc1ccc(cc1)[N+](=O)[O-]

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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 C14H10BrNO5 MW 352.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10BrNO5/c1-20-13-7-2-9(8-12(13)15)14(17)21-11-5-3-10(4-6-11)16(18)19/h2-8H,1H3
InChIKey
ZLXVVIXFYXKDMF-UHFFFAOYSA-N
Synonyms

(4NITROPHENYL)3BROMO4METHOXYBENZOATE
4NITROPHENYL3BROMO4METHOXYBENZOATE
COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)(N+)(=O)(O))Br
COc1ccc(cc1Br)C(=O)Oc1ccc(cc1)(N+)(=O)(O)
InChI=1SC14H10BrNO5c12013729(812(13)15)14(17)21115310(4611)16(18)19h28H1H3
MFCD02857067
STK011426
ZINC000001154086
ZINC01154086
ZINC1154086

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Available files

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