Vitas-M small molecule compound
1-ethyl-N-(2-methyl-4-nitrophenyl)-4-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STL390533
SMILES CCn1ncc(c1C(=O)Nc1ccc(cc1C)[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 C13H13N5O5 MW 319.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N5O5/c1-3-16-12(11(7-14-16)18(22)23)13(19)15-10-5-4-9(17(20)21)6-8(10)2/h4-7H,3H2,1-2H3,(H,15,19)InChIKey
HBUXTSRCVRFHKR-UHFFFAOYSA-NSynonyms
957486-56-51ETHYL4NITRON(4NITRO2METHYLPHENYL)1HPYRAZOLE5CARBOXAMIDE
1ethylN(2methyl4nitrophenyl)4nitro1Hpyrazole5carboxamide
2ETHYLN(2METHYL4NITROPHENYL)4NITROPYRAZOLE3CARBOXAMIDE
957486565
CCN1C(=C(C=N1)(N+)(=O)(O))C(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))C
CCn1ncc(c1C(=O)Nc1ccc(cc1C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H13N5O5c131612(11(71416)18(22)23)13(19)1510549(17(20)21)68(10)2h47H3H212H3(H1519)
MFCD03072129
ZINC000004647113
ZINC04647113
ZINC4647113
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