Vitas-M small molecule compound
2,2,2-trinitroethyl 4-phenyl-1-(4,4,4-trinitrobutanoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
Catalog ID
STL051717
SMILES O=C(N1CC(C(=N1)C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])c1ccccc1)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 C16H14N8O15 MW 558.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N8O15/c25-12(6-7-15(19(27)28,20(29)30)21(31)32)18-8-11(10-4-2-1-3-5-10)13(17-18)14(26)39-9-16(22(33)34,23(35)36)24(37)38/h1-5,11H,6-9H2InChIKey
VBZZZFGLPUSYJU-UHFFFAOYSA-NSynonyms
222trinitroethyl4phenyl1(444trinitrobutanoyl)45dihydro1Hpyrazole3carboxylate
222TRINITROETHYL4PHENYL2(444TRINITROBUTANOYL)34DIHYDROPYRAZOLE5CARBOXYLATE
C1C(C(=NN1C(=O)CCC((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O))C(=O)OCC((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O))C2=CC=CC=C2
InChI=1SC16H14N8O15c2512(6715(19(27)2820(29)30)21(31)32)18811(104213510)13(1718)14(26)39916(22(33)3423(35)36)24(37)38h1511H69H2
MFCD02130975
O=C(N1CC(C(=N1)C(=O)OCC((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O))c1ccccc1)CCC((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O)
ZINC000102888781
ZINC000102888783
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Check stock on Vitas-MAvailable files
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