Vitas-M small molecule compound
3,4-dinitro-1-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
Catalog ID
STL415387
SMILES CC(n1nc(c(c1C(=O)O)[N+](=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 C7H8N4O6 MW 244.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H8N4O6/c1-3(2)9-5(7(12)13)4(10(14)15)6(8-9)11(16)17/h3H,1-2H3,(H,12,13)InChIKey
IBOXBHMVMDVEQZ-UHFFFAOYSA-NSynonyms
1798775-80-01798775800
34dinitro1(propan2yl)1Hpyrazole5carboxylicacid
CC(C)N1C(=C(C(=N1)(N+)(=O)(O))(N+)(=O)(O))C(=O)O
CC(n1nc(c(c1C(=O)O)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC7H8N4O6c13(2)95(7(12)13)4(10(14)15)6(89)11(16)17h3H12H3(H1213)
MFCD28962836
ZINC000223249520
ZINC223249520
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