Vitas-M small molecule compound

2-(4-methylpiperidin-1-yl)-3-nitrobenzoic acid

Catalog ID
STK503313
SMILES CC1CCN(CC1)c1c(cccc1[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 C13H16N2O4 MW 264.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O4/c1-9-5-7-14(8-6-9)12-10(13(16)17)3-2-4-11(12)15(18)19/h2-4,9H,5-8H2,1H3,(H,16,17)
InChIKey
FEHIBIZBCHAJQF-UHFFFAOYSA-N
Synonyms
890091-66-4
2(4METHYL1PIPERIDINYL)3NITROBENZOICACID
2(4methylpiperidin1yl)3nitrobenzoicacid
2(4METHYLPIPERIDYL)3NITROBENZOICACID
890091664
CC1CCN(CC1)c1c(cccc1(N+)(=O)(O))C(=O)O
CC1CCN(CC1)C2=C(C=CC=C2(N+)(=O)(O))C(=O)O
InChI=1SC13H16N2O4c195714(869)1210(13(16)17)32411(12)15(18)19h249H58H21H3(H1617)
MFCD06809637
ZINC000004342618
ZINC4342618

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Available files

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