Vitas-M small molecule compound

1,7,7-trimethyl-2-{3-methyl-3-[(2-methylpentan-2-yl)peroxy]but-1-yn-1-yl}bicyclo[2.2.1]heptan-2-ol

Catalog ID
STL570396
SMILES CCCC(OOC(C#CC1(O)CC2C(C1(C)CC2)(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/c1-9-11-17(2,3)23-24-18(4,5)13-14-21(22)15-16-10-12-20(21,8)19(16,6)7/h16,22H,9-12,15H2,1-8H3
InChIKey
YTCWFEJWUUTLFC-UHFFFAOYSA-N
Synonyms

(1R2S4R)177trimethyl2(3methyl3((2methylpentan2yl)peroxy)but1yn1yl)bicyclo(221)heptan2ol
177trimethyl2(3methyl3((2methylpentan2yl)peroxy)but1yn1yl)bicyclo(221)heptan2ol
177trimethyl2(3methyl3(2methylpentan2ylperoxy)but1ynyl)bicyclo(221)heptan2ol
3392860
CCCC(OOC(C#C(C@@)1(O)CC2C(C1(C)CC2)(C)C)(C)C)(C)C
InChI=1SC21H36O3c191117(23)232418(45)131421(22)1516101220(218)19(166)7h1622H91215H218H3
MFCD32649540
ZINC000101277566
ZINC000229692714

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Available files

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