Vitas-M small molecule compound
1,3-diethyl-5-[(2-hydroxyethyl)amino]-4,6-dinitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STK728648
SMILES OCCNc1c(cc2c(c1[N+](=O)[O-])n(CC)c(=O)n2CC)[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 C13H17N5O6 MW 339.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N5O6/c1-3-15-9-7-8(17(21)22)10(14-5-6-19)12(18(23)24)11(9)16(4-2)13(15)20/h7,14,19H,3-6H2,1-2H3InChIKey
JAFGWEFLIMNQHI-UHFFFAOYSA-NSynonyms
13diethyl5((2hydroxyethyl)amino)46dinitro13dihydro2Hbenzimidazol2one
13DIETHYL5(2HYDROXYETHYLAMINO)46DINITROBENZIMIDAZOL2ONE
CCN1C2=CC(=C(C(=C2N(C1=O)CC)(N+)(=O)(O))NCCO)(N+)(=O)(O)
InChI=1SC13H17N5O6c1315978(17(21)22)10(145619)12(18(23)24)11(9)16(42)13(15)20h71419H36H212H3
MFCD06617345
OCCNc1c(cc2c(c1(N+)(=O)(O))n(CC)c(=O)n2CC)(N+)(=O)(O)
ZINC000009235155
ZINC09235155
ZINC9235155
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