Vitas-M small molecule compound

{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}(phenyl)methanone

Catalog ID
STK850552
SMILES O=C(c1ccccc1)N1CCN(CC1)Cc1nc2c(n1C)ccc(c2)[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 C20H21N5O3 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O3/c1-22-18-8-7-16(25(27)28)13-17(18)21-19(22)14-23-9-11-24(12-10-23)20(26)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChIKey
CGZQUNOXZJKWNX-UHFFFAOYSA-N
Synonyms
895841-12-0
(4((1methyl5nitro1Hbenzimidazol2yl)methyl)piperazin1yl)(phenyl)methanone
(4((1methyl5nitro1Hbenzo(d)imidazol2yl)methyl)piperazin1yl)(phenyl)methanone
(4((1METHYL5NITROBENZIMIDAZOL2YL)METHYL)PIPERAZIN1YL)PHENYLMETHANONE
(4(1METHYL5NITRO1HBENZOIMIDAZOL2YLMETHYL)PIPERAZIN1YL)PHENYLMETHANONE
895841120
CN1C2=C(C=C(C=C2)(N+)(=O)(O))N=C1CN3CCN(CC3)C(=O)C4=CC=CC=C4
InChI=1SC20H21N5O3c122188716(25(27)28)1317(18)2119(22)142391124(121023)20(26)155324615h2813H91214H21H3
MFCD06613180
O=C(c1ccccc1)N1CCN(CC1)Cc1nc2c(n1C)ccc(c2)(N+)(=O)(O)
ZINC000019828409
ZINC19828409

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.