Vitas-M small molecule compound
(2,4,6-trinitrophenyl)acetic acid
Catalog ID
STK664281
SMILES OC(=O)Cc1c(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 C8H5N3O8 MW 271.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H5N3O8/c12-8(13)3-5-6(10(16)17)1-4(9(14)15)2-7(5)11(18)19/h1-2H,3H2,(H,12,13)InChIKey
NECAHMOLCOTMNH-UHFFFAOYSA-NSynonyms
77601-83-3(246trinitrophenyl)aceticacid
2(246TRINITROPHENYL)ACETICACID
246TRINITROBENZENEACETICACID
246TRINITROPHENYLACETICACID
77601833
C1=C(C=C(C(=C1(N+)(=O)(O))CC(=O)O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC8H5N3O8c128(13)356(10(16)17)14(9(14)15)27(5)11(18)19h12H3H2(H1213)
MFCD01820800
OC(=O)Cc1c(cc(cc1(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
ZINC000033354022
ZINC33354022
Check stock
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Check stock on Vitas-MAvailable files
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