Vitas-M small molecule compound
4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid
Catalog ID
STK674681
SMILES COc1ccccc1N1CCN(CC1)c1ccc(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 C18H19N3O5 MW 357.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O5/c1-26-17-5-3-2-4-15(17)20-10-8-19(9-11-20)14-7-6-13(18(22)23)12-16(14)21(24)25/h2-7,12H,8-11H2,1H3,(H,22,23)InChIKey
TZLGMKLNNREXRR-UHFFFAOYSA-NSynonyms
4(4(2methoxyphenyl)piperazin1yl)3nitrobenzoicacid
4(4(2METHOXYPHENYL)PIPERAZINYL)3NITROBENZOICACID
COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)(N+)(=O)(O)
COc1ccccc1N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(=O)O
InChI=1SC18H19N3O5c12617532415(17)2010819(91120)147613(18(22)23)1216(14)21(24)25h2712H811H21H3(H2223)
MFCD01423205
ZINC000003913728
ZINC3913728
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