Vitas-M small molecule compound

[1',3-bis(4-nitrophenyl)-2,3-dihydro-1H,1'H-2,2'-biimidazol-1-yl](4-methylphenyl)methanone

Catalog ID
STK737288
SMILES Cc1ccc(cc1)C(=O)N1C=CN(C1c1nccn1c1ccc(cc1)[N+](=O)[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 C26H20N6O5 MW 496.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N6O5/c1-18-2-4-19(5-3-18)26(33)30-17-16-29(21-8-12-23(13-9-21)32(36)37)25(30)24-27-14-15-28(24)20-6-10-22(11-7-20)31(34)35/h2-17,25H,1H3
InChIKey
SGQQTELHYHJNDD-UHFFFAOYSA-N
Synonyms

(13bis(4nitrophenyl)23dihydro1H1H22biimidazol1yl)(4methylphenyl)methanone
(4METHYLPHENYL)(3(4NITROPHENYL)2(1(4NITROPHENYL)IMIDAZOL2YL)2HIMIDAZOL1YL)METHANONE
CC1=CC=C(C=C1)C(=O)N2C=CN(C2C3=NC=CN3C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=C(C=C5)(N+)(=O)(O)
Cc1ccc(cc1)C(=O)N1C=CN(C1c1nccn1c1ccc(cc1)(N+)(=O)(O))c1ccc(cc1)(N+)(=O)(O)
InChI=1SC26H20N6O5c1182419(5318)26(33)30171629(2181223(13921)32(36)37)25(30)2427141528(24)2061022(11720)31(34)35h21725H1H3
MFCD06016507
ZINC000012447609
ZINC000012447610

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Available files

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