Vitas-M small molecule compound
1,3-dimethyl-5-nitro-6-[4-(phenylacetyl)piperazin-1-yl]-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL432069
SMILES O=C(N1CCN(CC1)c1cc2n(C)c(=O)n(c2cc1[N+](=O)[O-])C)Cc1ccccc1
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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 C21H23N5O4 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4/c1-22-16-13-18(19(26(29)30)14-17(16)23(2)21(22)28)24-8-10-25(11-9-24)20(27)12-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3InChIKey
ZSMWXKRBEHPGCT-UHFFFAOYSA-NSynonyms
13DIMETHYL5NITRO6(4(2PHENYLACETYL)PIPERAZIN1YL)BENZIMIDAZOL2ONE
13dimethyl5nitro6(4(phenylacetyl)piperazin1yl)13dihydro2Hbenzimidazol2one
CN1C2=CC(=C(C=C2N(C1=O)C)(N+)(=O)(O))N3CCN(CC3)C(=O)CC4=CC=CC=C4
InChI=1SC21H23N5O4c122161318(19(26(29)30)1417(16)23(2)21(22)28)2481025(11924)20(27)12156435715h371314H812H212H3
MFCD06006649
O=C(N1CCN(CC1)c1cc2n(C)c(=O)n(c2cc1(N+)(=O)(O))C)Cc1ccccc1
ZINC000004758720
ZINC04758720
ZINC4758720
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