Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl benzoate
Catalog ID
STL560733
SMILES CC1=CC(C)C2(C(C1C(OC2)c1ccc2c(c1)OCO2)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 C26H28O5 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28O5/c1-16-11-17(2)26(14-29-25(27)19-7-5-4-6-8-19)13-28-24(23(16)18(26)3)20-9-10-21-22(12-20)31-15-30-21/h4-12,17-18,23-24H,13-15H2,1-3H3InChIKey
FSFRMGYTTNBARV-UHFFFAOYSA-NSynonyms
((1S5R9R)4(benzo(d)(13)dioxol5yl)689trimethyl3oxabicyclo(331)non6en1yl)methylbenzoate
(4(13benzodioxol5yl)689trimethyl3oxabicyclo(331)non6en1yl)methylbenzoate
3731542
CC1=CC(C)(C@@)2(C((C@H)1C(OC2)c1ccc2c(c1)OCO2)C)COC(=O)c1ccccc1
InChI=1SC26H28O5c1161117(2)26(142925(27)197546819)132824(23(16)18(26)3)209102122(1220)31153021h41217182324H1315H213H3
MFCD32649606
ZINC000106867337
ZINC000504727375
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