Vitas-M small molecule compound

5-(benzylamino)-4,6-dinitro-1,3-dihydro-2H-benzimidazol-2-one

Catalog ID
STK368565
SMILES O=c1[nH]c2c([nH]1)cc(c(c2[N+](=O)[O-])NCc1ccccc1)[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 C14H11N5O5 MW 329.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N5O5/c20-14-16-9-6-10(18(21)22)12(13(19(23)24)11(9)17-14)15-7-8-4-2-1-3-5-8/h1-6,15H,7H2,(H2,16,17,20)
InChIKey
YTESJKJVFVUBEV-UHFFFAOYSA-N
Synonyms

46DINITRO5(BENZYLAMINO)3HYDROBENZIMIDAZOL2ONE
5(benzylamino)46dinitro13dihydro2Hbenzimidazol2one
5(BENZYLAMINO)46DINITRO13DIHYDROBENZIMIDAZOL2ONE
C1=CC=C(C=C1)CNC2=C(C=C3C(=C2(N+)(=O)(O))NC(=O)N3)(N+)(=O)(O)
InChI=1SC14H11N5O5c2014169610(18(21)22)12(13(19(23)24)11(9)1714)1578421358h1615H7H2(H2161720)
MFCD00390116
O=c1(nH)c2c((nH)1)cc(c(c2(N+)(=O)(O))NCc1ccccc1)(N+)(=O)(O)
ZINC000004016765
ZINC4016765

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Available files

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