Vitas-M small molecule compound

2,2'-(tricyclo[3.3.1.1~3,7~]decane-1,3-diyldimethanediyl)bis(1H-benzimidazole)

Catalog ID
STK739532
SMILES c1ccc2c(c1)[nH]c(n2)CC12CC3CC(C1)CC(C2)(C3)Cc1nc2c([nH]1)cccc2

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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 C26H28N4 MW 396.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4/c1-2-6-20-19(5-1)27-23(28-20)14-25-10-17-9-18(11-25)13-26(12-17,16-25)15-24-29-21-7-3-4-8-22(21)30-24/h1-8,17-18H,9-16H2,(H,27,28)(H,29,30)
InChIKey
YKXYXNYUPKKFNT-UHFFFAOYSA-N
Synonyms
890092-59-8
(1s3s5r7r)13bis((1Hbenzo(d)imidazol2yl)methyl)adamantane
2((3(1HBENZIMIDAZOL2YLMETHYL)1ADAMANTYL)METHYL)1HBENZIMIDAZOLE
22(tricyclo(3311~37~)decane13diyldimethanediyl)bis(1Hbenzimidazole)
890092598
C1C2CC3(CC1CC(C2)(C3)CC4=NC5=CC=CC=C5N4)CC6=NC7=CC=CC=C7N6
c1ccc2c(c1)(nH)c(n2)CC12CC3CC(C1)CC(C2)(C3)Cc1nc2c((nH)1)cccc2
InChI=1SC26H28N4c1262019(51)2723(2820)14251017918(1125)1326(12171625)15242921734822(21)3024h181718H916H2(H2728)(H2930)
MFCD02173876
ZINC000004812617
ZINC04812617
ZINC4812617

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Available files

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