Vitas-M small molecule compound

2,2,2-trinitroethyl 1-(4,4,4-trinitrobutanoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate

Catalog ID
STK763126
SMILES O=C(N1CCC(=N1)C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])CCC([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 C10H10N8O15 MW 482.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H10N8O15/c19-7(1-3-9(13(21)22,14(23)24)15(25)26)12-4-2-6(11-12)8(20)33-5-10(16(27)28,17(29)30)18(31)32/h1-5H2
InChIKey
AGEBEIGNQILWFI-UHFFFAOYSA-N
Synonyms

222TRINITROETHYL1(444TRINITROBUTANOYL)2PYRAZOLINE3CARBOXYLATE
222TRINITROETHYL1(444TRINITROBUTANOYL)45DIHYDRO1HPYRAZOLE3CARBOXYLATE
222TRINITROETHYL2(444TRINITROBUTANOYL)34DIHYDROPYRAZOLE5CARBOXYLATE
C1CN(N=C1C(=O)OCC((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O))C(=O)CCC((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O)
InChI=1SC10H10N8O15c197(139(13(21)2214(23)24)15(25)26)12426(1112)8(20)33510(16(27)2817(29)30)18(31)32h15H2
MFCD02130974
O=C(N1CCC(=N1)C(=O)OCC((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O))CCC((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O)
ZINC000100093656
ZINC100093656

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Available files

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