Vitas-M small molecule compound

3-carboxy-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide

Catalog ID
STK120005
SMILES [O-][N+](=O)c1c(C)n[n+]2n1[n-]c(c2C(=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 C7H7N5O4 MW 225.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H7N5O4/c1-3-5(7(13)14)10-9-4(2)6(12(15)16)11(10)8-3/h1-2H3,(H-,8,9,13,14)
InChIKey
CPJVXJNTTITMFT-UHFFFAOYSA-N
Synonyms
91772-22-4
(O)(N+)(=O)c1c(C)n(n+)2n1(n)c(c2C(=O)O)C
26DIMETHYL7NITRO1H123TRIAZOLO(21A)123TRIAZOLINE3CARBOXYLICACID
26DIMETHYL7NITRO1HTRIAZOLO(21A)TRIAZOL8IUM3CARBOXYLATE
3CARBOXY26DIMETHYL7NITRO(123)TRIAZOLO(21A)(123)TRIAZOL4IUM1IDE
91772224
CC1=C(N2N=C(C(=(N+)2N1)(N+)(=O)(O))C)C(=O)(O)
InChI=1SC7H7N5O4c135(7(13)14)1094(2)6(12(15)16)11(10)83h12H3(H891314)
MFCD03408619
ZINC000006824824
ZINC12372006

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Available files

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