Vitas-M small molecule compound
[4-(4-methoxyphenyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl benzoate
Catalog ID
STL560967
SMILES COc1ccc(cc1)C1OCC2(C(C1C(=CC2C)C)C)COC(=O)c1ccccc1
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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 C26H30O4 MW 406.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30O4/c1-17-14-18(2)26(16-30-25(27)21-8-6-5-7-9-21)15-29-24(23(17)19(26)3)20-10-12-22(28-4)13-11-20/h5-14,18-19,23-24H,15-16H2,1-4H3InChIKey
VGRINMHUNLQXBU-UHFFFAOYSA-NSynonyms
((1R5R9S)4(4methoxyphenyl)689trimethyl3oxabicyclo(331)non6en1yl)methylbenzoate
(4(4methoxyphenyl)689trimethyl3oxabicyclo(331)non6en1yl)methylbenzoate
3801876
COc1ccc(cc1)C1OC(C@@)2(C((C@@H)1C(=CC2C)C)C)COC(=O)c1ccccc1
InChI=1SC26H30O4c1171418(2)26(163025(27)218657921)152924(23(17)19(26)3)20101222(284)131120h51418192324H1516H214H3
MFCD01845369
ZINC000002126696
ZINC000217397739
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