Vitas-M small molecule compound
1-{3-methyl-3-[(2-methylbutan-2-yl)peroxy]but-1-yn-1-yl}cyclohexyl acetate
Catalog ID
STK064882
SMILES CCC(OOC(C#CC1(CCCCC1)OC(=O)C)(C)C)(C)C
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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 C18H30O4 MW 310.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H30O4/c1-7-16(3,4)21-22-17(5,6)13-14-18(20-15(2)19)11-9-8-10-12-18/h7-12H2,1-6H3InChIKey
MPEKHBKKTWXBNI-UHFFFAOYSA-NSynonyms
(1(3methyl3(2methylbutan2ylperoxy)but1ynyl)cyclohexyl)acetate
1(3METHYL3((2METHYLBUTAN2YL)PEROXY)BUT1YN1YL)CYCLOHEXYLACETATE
CCC(C)(C)OOC(C)(C)C#CC1(CCCCC1)OC(=O)C
CCC(OOC(C#CC1(CCCCC1)OC(=O)C)(C)C)(C)C
InChI=1SC18H30O4c1716(34)212217(56)131418(2015(2)19)1198101218h712H216H3
MFCD11851054
STK064882
ZINC000101463018
ZINC101463018
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