Vitas-M small molecule compound

1,4-bis(3,3-dimethylbut-1-yn-1-yl)-2,5-bis(iodomethyl)benzene

Catalog ID
STK072718
SMILES ICc1cc(C#CC(C)(C)C)c(cc1C#CC(C)(C)C)CI

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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 C20H24I2 MW 518.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24I2/c1-19(2,3)9-7-15-11-18(14-22)16(12-17(15)13-21)8-10-20(4,5)6/h11-12H,13-14H2,1-6H3
InChIKey
WZOIZLRTKQIGPE-UHFFFAOYSA-N
Synonyms

14BIS(33DIMETHYLBUT1YN1YL)25BIS(IODOMETHYL)BENZENE
14BIS(33DIMETHYLBUT1YNYL)25BIS(IODOMETHYL)BENZENE
CC(C)(C)C#CC1=CC(=C(C=C1CI)C#CC(C)(C)C)CI
ICc1cc(C#CC(C)(C)C)c(cc1C#CC(C)(C)C)CI
InChI=1SC20H24I2c119(23)97151118(1422)16(1217(15)1321)81020(45)6h1112H1314H216H3
MFCD02311937
STK072718
ZINC000098048378
ZINC98048378

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Available files

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