Vitas-M small molecule compound

2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid

Catalog ID
STK673822
SMILES OCCN1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])[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 C13H16N4O7 MW 340.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O7/c18-6-5-14-1-3-15(4-2-14)12-10(13(19)20)7-9(16(21)22)8-11(12)17(23)24/h7-8,18H,1-6H2,(H,19,20)
InChIKey
NHUNQOYVQPNQDB-UHFFFAOYSA-N
Synonyms
294876-93-0
2(4(2HYDROXYETHYL)1PIPERAZINYL)35BISNITROBENZOICACID
2(4(2hydroxyethyl)piperazin1yl)35dinitrobenzoicacid
2(4(2hydroxyethyl)piperazin4ium1yl)35dinitrobenzoate
2(4(2HYDROXYETHYL)PIPERAZINYL)35DINITROBENZOICACID
294876930
C1CN(CC(NH+)1CCO)C2=C(C=C(C=C2C(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H16N4O7c1865141315(4214)1210(13(19)20)79(16(21)22)811(12)17(23)24h7818H16H2(H1920)
MFCD01204262
OCCN1CCN(CC1)c1c(cc(cc1(N+)(=O)(O))(N+)(=O)(O))C(=O)O
ZINC000008443373
ZINC08443373
ZINC8443373

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Available files

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