Vitas-M small molecule compound

2-[(4-tert-butylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-benzimidazole

Catalog ID
STK866897
SMILES C#CCn1c(COc2ccc(cc2)C(C)(C)C)nc2c1cccc2

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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 C21H22N2O MW 318.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O/c1-5-14-23-19-9-7-6-8-18(19)22-20(23)15-24-17-12-10-16(11-13-17)21(2,3)4/h1,6-13H,14-15H2,2-4H3
InChIKey
PHGBYAUKWCAKDC-UHFFFAOYSA-N
Synonyms
881439-48-1
1(TERTBUTYL)4((1PROP2YNYLBENZIMIDAZOL2YL)METHOXY)BENZENE
2((4tertbutylphenoxy)methyl)1(prop2yn1yl)1Hbenzimidazole
2((4tertbutylphenoxy)methyl)1prop2ynylbenzimidazole
881439481
CC(C)(C)C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CC#C
InChI=1SC21H22N2Oc15142319976818(19)2220(23)152417121016(111317)21(23)4h1613H1415H224H3
MFCD06651233
ZINC000006752655
ZINC06752655
ZINC6752655

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Available files

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