Vitas-M small molecule compound

3-[(2,4,6-trinitrophenyl)amino]benzoic acid

Catalog ID
STK365498
SMILES OC(=O)c1cccc(c1)Nc1c(cc(cc1[N+](=O)[O-])[N+](=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 C13H8N4O8 MW 348.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8N4O8/c18-13(19)7-2-1-3-8(4-7)14-12-10(16(22)23)5-9(15(20)21)6-11(12)17(24)25/h1-6,14H,(H,18,19)
InChIKey
POECFHVTFLONRY-UHFFFAOYSA-N
Synonyms
7221-19-4
3((246trinitrophenyl)amino)benzoicacid
3(246TRINITROANILINO)BENZOICACID
3(246TRINITROPHENYLAMINO)BENZOICACID
7221194
C1=CC(=CC(=C1)NC2=C(C=C(C=C2(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O))C(=O)O
InChI=1SC13H8N4O8c1813(19)72138(47)141210(16(22)23)59(15(20)21)611(12)17(24)25h1614H(H1819)
M(246TRINITROANILINO)BENZOICACID
MFCD00024440
OC(=O)c1cccc(c1)Nc1c(cc(cc1(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
ZINC000017574343
ZINC17574343

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Available files

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