Vitas-M small molecule compound

3-(4-nitrophenyl)cyclohex-4-ene-1,2-dicarboxylic acid

Catalog ID
STL572695
SMILES OC(=O)C1C(CC=CC1c1ccc(cc1)[N+](=O)[O-])C(=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 C14H13NO6 MW 291.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13NO6/c16-13(17)11-3-1-2-10(12(11)14(18)19)8-4-6-9(7-5-8)15(20)21/h1-2,4-7,10-12H,3H2,(H,16,17)(H,18,19)
InChIKey
HNDPIUMJBGBYPY-UHFFFAOYSA-N
Synonyms

3(4nitrophenyl)cyclohex4ene12dicarboxylicacid
75627898
InChI=1SC14H13NO6c1613(17)1131210(12(11)14(18)19)8469(758)15(20)21h12471012H3H2(H1617)(H1819)
MFCD32650328
ZINC000044804355
ZINC000213715562

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Available files

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