Vitas-M small molecule compound
5,5,6-trimethyl-2-{3-methyl-3-[(2-methylpentan-2-yl)peroxy]but-1-yn-1-yl}bicyclo[2.2.1]heptan-2-ol
Catalog ID
STL570391
SMILES CCCC(OOC(C#CC1(O)CC2CC1C(C2(C)C)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 C21H36O3 MW 336.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H36O3/c1-9-10-18(3,4)23-24-19(5,6)11-12-21(22)14-16-13-17(21)15(2)20(16,7)8/h15-17,22H,9-10,13-14H2,1-8H3InChIKey
YTVVIHAUIVTBQY-UHFFFAOYSA-NSynonyms
(1R2R4R6S)556trimethyl2(3methyl3((2methylpentan2yl)peroxy)but1yn1yl)bicyclo(221)heptan2ol
3760154
556trimethyl2(3methyl3((2methylpentan2yl)peroxy)but1yn1yl)bicyclo(221)heptan2ol
556trimethyl2(3methyl3(2methylpentan2ylperoxy)but1ynyl)bicyclo(221)heptan2ol
InChI=1SC21H36O3c191018(34)232419(56)111221(22)14161317(21)15(2)20(167)8h151722H9101314H218H3
MFCD01548053
ZINC000100743085
ZINC000252695363
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