Vitas-M small molecule compound
1,3-bis(3,3-dinitrobutyl)urea
Catalog ID
STK672136
SMILES O=C(NCCC([N+](=O)[O-])([N+](=O)[O-])C)NCCC([N+](=O)[O-])([N+](=O)[O-])C
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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 C9H16N6O9 MW 352.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H16N6O9/c1-8(12(17)18,13(19)20)3-5-10-7(16)11-6-4-9(2,14(21)22)15(23)24/h3-6H2,1-2H3,(H2,10,11,16)InChIKey
KGVZGUMDTZCSAR-UHFFFAOYSA-NSynonyms
13bis(33dinitrobutyl)urea
CC(CCNC(=O)NCCC(C)((N+)(=O)(O))(N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O)
InChI=1SC9H16N6O9c18(12(17)1813(19)20)35107(16)11649(214(21)22)15(23)24h36H212H3(H2101116)
MFCD00822649
N(33DINITROBUTYL)((33DINITROBUTYL)AMINO)CARBOXAMIDE
O=C(NCCC((N+)(=O)(O))((N+)(=O)(O))C)NCCC((N+)(=O)(O))((N+)(=O)(O))C
ZINC000033355035
ZINC33355035
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