Vitas-M small molecule compound
1H-1,2,4-triazol-1-ylmethyl 3,5-dinitrobenzoate
Catalog ID
STK366484
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OCn1cncn1
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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 C10H7N5O6 MW 293.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H7N5O6/c16-10(21-6-13-5-11-4-12-13)7-1-8(14(17)18)3-9(2-7)15(19)20/h1-5H,6H2InChIKey
BOTUTSWXXCPXAA-UHFFFAOYSA-NSynonyms
124TRIAZOL1YLMETHYL35DINITROBENZOATE
124TRIAZOLYLMETHYL35DINITROBENZOATE
1H124triazol1ylmethyl35dinitrobenzoate
C1=C(C=C(C=C1(N+)(=O)(O))(N+)(=O)(O))C(=O)OCN2C=NC=N2
InChI=1SC10H7N5O6c1610(2161351141213)718(14(17)18)39(27)15(19)20h15H6H2
MFCD00416875
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))OCn1cncn1
ZINC000003154564
ZINC03154564
ZINC3154564
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