Vitas-M small molecule compound
N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide
Catalog ID
STK548290
SMILES CCCC(c1nc2c([nH]1)cccc2)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[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 C18H17N5O5 MW 383.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O5/c1-2-5-16(17-19-14-6-3-4-7-15(14)20-17)21-18(24)11-8-12(22(25)26)10-13(9-11)23(27)28/h3-4,6-10,16H,2,5H2,1H3,(H,19,20)(H,21,24)InChIKey
CHVRWOOMZJMNNR-UHFFFAOYSA-NSynonyms
748778-95-2748778952
CCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
CCCC(c1nc2c((nH)1)cccc2)NC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H17N5O5c12516(171914634715(14)2017)2118(24)11812(22(25)26)1013(911)23(27)28h3461016H25H21H3(H1920)(H2124)
MFCD03653513
N(1(1Hbenzimidazol2yl)butyl)35dinitrobenzamide
N(1(1Hbenzo(d)imidazol2yl)butyl)35dinitrobenzamide
ZINC000012602083
ZINC000012602086
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