Vitas-M small molecule compound
2-(benzylamino)-N-(2-methoxy-4-nitrophenyl)-3,5-dinitrobenzamide
Catalog ID
STK366050
SMILES COc1cc(ccc1NC(=O)c1cc(cc(c1NCc1ccccc1)[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 C21H17N5O8 MW 467.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O8/c1-34-19-11-14(24(28)29)7-8-17(19)23-21(27)16-9-15(25(30)31)10-18(26(32)33)20(16)22-12-13-5-3-2-4-6-13/h2-11,22H,12H2,1H3,(H,23,27)InChIKey
WRBBNBKNNQGFFF-UHFFFAOYSA-NSynonyms
(35DINITRO2(BENZYLAMINO)PHENYL)N(2METHOXY4NITROPHENYL)CARBOXAMIDE
2(benzylamino)N(2methoxy4nitrophenyl)35dinitrobenzamide
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)C2=CC(=CC(=C2NCC3=CC=CC=C3)(N+)(=O)(O))(N+)(=O)(O)
COc1cc(ccc1NC(=O)c1cc(cc(c1NCc1ccccc1)(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H17N5O8c134191114(24(28)29)7817(19)2321(27)16915(25(30)31)1018(26(32)33)20(16)2212135324613h21122H12H21H3(H2327)
MFCD00327268
ZINC000102095892
ZINC102095892
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