Vitas-M small molecule compound
4-(4-methylpiperazin-1-yl)-3,5-dinitrobenzoic acid
Catalog ID
STL503454
SMILES CN1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(=O)O)[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 C12H14N4O6 MW 310.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N4O6/c1-13-2-4-14(5-3-13)11-9(15(19)20)6-8(12(17)18)7-10(11)16(21)22/h6-7H,2-5H2,1H3,(H,17,18)InChIKey
NIEMTJYLZCMKQZ-UHFFFAOYSA-NSynonyms
35DINITRO4(4METHYLPIPERAZINO)BENZOICACID
4(4methylpiperazin1yl)35dinitrobenzoicacid
40490781
InChI=1SC12H14N4O6c1132414(5313)119(15(19)20)68(12(17)18)710(11)16(21)22h67H25H21H3(H1718)
MFCD02653140
ZINC000004660159
ZINC4660159
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