Vitas-M small molecule compound

N-(1-methyl-2-{2-[4-(4-methylphenyl)piperazin-1-yl]ethyl}-1H-benzimidazol-5-yl)-4-nitrobenzamide

Catalog ID
STK796413
SMILES Cc1ccc(cc1)N1CCN(CC1)CCc1nc2c(n1C)ccc(c2)NC(=O)c1ccc(cc1)[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 C28H30N6O3 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N6O3/c1-20-3-8-23(9-4-20)33-17-15-32(16-18-33)14-13-27-30-25-19-22(7-12-26(25)31(27)2)29-28(35)21-5-10-24(11-6-21)34(36)37/h3-12,19H,13-18H2,1-2H3,(H,29,35)
InChIKey
QQTFFPLSOBVRDZ-UHFFFAOYSA-N
Synonyms
879436-14-3
879436143
CC1=CC=C(C=C1)N2CCN(CC2)CCC3=NC4=C(N3C)C=CC(=C4)NC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
Cc1ccc(cc1)N1CCN(CC1)CCc1nc2c(n1C)ccc(c2)NC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC28H30N6O3c1203823(9420)33171532(161833)14132730251922(71226(25)31(27)2)2928(35)2151024(11621)34(36)37h31219H1318H212H3(H2935)
MFCD06609421
N(1methyl2(2(4(4methylphenyl)piperazin1yl)ethyl)1Hbenzimidazol5yl)4nitrobenzamide
N(1METHYL2(2(4(4METHYLPHENYL)PIPERAZIN1YL)ETHYL)BENZIMIDAZOL5YL)4NITROBENZAMIDE
N(1methyl2(2(4(ptolyl)piperazin1yl)ethyl)1Hbenzo(d)imidazol5yl)4nitrobenzamide
ZINC000009110233
ZINC9110233

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Available files

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