Vitas-M small molecule compound
4-[(3-methyl-2,4,6-trinitrophenyl)amino]benzoic acid
Catalog ID
STK527480
SMILES [O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1Nc1ccc(cc1)C(=O)O)[N+](=O)[O-])C
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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 C14H10N4O8 MW 362.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10N4O8/c1-7-10(16(21)22)6-11(17(23)24)12(13(7)18(25)26)15-9-4-2-8(3-5-9)14(19)20/h2-6,15H,1H3,(H,19,20)InChIKey
MMPNRHDQNISXQX-UHFFFAOYSA-NSynonyms
372972-06-0(O)(N+)(=O)c1cc((N+)(=O)(O))c(c(c1Nc1ccc(cc1)C(=O)O)(N+)(=O)(O))C
372972060
4((3methyl246trinitrophenyl)amino)benzoicacid
4(3METHYL246TRINITROANILINO)BENZOICACID
4(3METHYL246TRINITROPHENYLAMINO)BENZOICACID
CC1=C(C(=C(C=C1(N+)(=O)(O))(N+)(=O)(O))NC2=CC=C(C=C2)C(=O)O)(N+)(=O)(O)
InChI=1SC14H10N4O8c1710(16(21)22)611(17(23)24)12(13(7)18(25)26)159428(359)14(19)20h2615H1H3(H1920)
MFCD00377325
ZINC000100569070
ZINC100569070
Check stock
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Check stock on Vitas-MAvailable files
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