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]hept-2-yl 2-methylprop-2-enoate

Catalog ID
STL570398
SMILES CCCC(OOC(C#CC1(OC(=O)C(=C)C)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 C25H40O4 MW 404.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H40O4/c1-11-13-21(4,5)28-29-22(6,7)15-16-25(27-20(26)18(2)3)17-19-12-14-24(25,10)23(19,8)9/h19H,2,11-14,17H2,1,3-10H3
InChIKey
LTVYYZVESNBABP-UHFFFAOYSA-N
Synonyms

(177trimethyl2(3methyl3(2methylpentan2ylperoxy)but1ynyl)2bicyclo(221)heptanyl)2methylprop2enoate
(1R2S4R)177trimethyl2(3methyl3((2methylpentan2yl)peroxy)but1yn1yl)bicyclo(221)heptan2ylmethacrylate
177trimethyl2(3methyl3((2methylpentan2yl)peroxy)but1yn1yl)bicyclo(221)hept2yl2methylprop2enoate
3777296
CCCC(OOC(C#C(C@@)1(OC(=O)C(=C)C)CC2C(C1(C)CC2)(C)C)(C)C)(C)C
InChI=1SC25H40O4c1111321(45)282922(67)151625(2720(26)18(2)3)1719121424(2510)23(198)9h19H2111417H21310H3
MFCD32649541
ZINC000100757786
ZINC000229675255

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Available files

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