Vitas-M small molecule compound
5-(4-benzylpiperidin-1-yl)-1,3-diethyl-4,6-dinitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL376938
SMILES CCn1c(=O)n(c2c1c([N+](=O)[O-])c(N1CCC(CC1)Cc1ccccc1)c(c2)[N+](=O)[O-])CC
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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 C23H27N5O5 MW 453.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O5/c1-3-25-18-15-19(27(30)31)20(22(28(32)33)21(18)26(4-2)23(25)29)24-12-10-17(11-13-24)14-16-8-6-5-7-9-16/h5-9,15,17H,3-4,10-14H2,1-2H3InChIKey
PWOWNXUYVGIMMQ-UHFFFAOYSA-NSynonyms
5(4benzylpiperidin1yl)13diethyl46dinitro13dihydro2Hbenzimidazol2one
5(4benzylpiperidin1yl)13diethyl46dinitrobenzimidazol2one
CCn1c(=O)n(c2c1c((N+)(=O)(O))c(N1CCC(CC1)Cc1ccccc1)c(c2)(N+)(=O)(O))CC
CCN1C2=CC(=C(C(=C2N(C1=O)CC)(N+)(=O)(O))N3CCC(CC3)CC4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC23H27N5O5c1325181519(27(30)31)20(22(28(32)33)21(18)26(42)23(25)29)24121017(111324)14168657916h591517H341014H212H3
MFCD06761301
ZINC000009235652
ZINC09235652
ZINC9235652
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