Vitas-M small molecule compound

(1R,5S,8Z)-6-methyl-8-(4-methylpent-3-en-1-ylidene)-2-phenyl-3-oxabicyclo[3.3.1]nonane

Catalog ID
STL562326
SMILES CC(=CC/C=C\1/CC(C)[C@H]2C[C@@H]1C(OC2)c1ccccc1)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 C21H28O MW 296.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28O/c1-15(2)8-7-11-18-12-16(3)19-13-20(18)21(22-14-19)17-9-5-4-6-10-17/h4-6,8-11,16,19-21H,7,12-14H2,1-3H3/b18-11-/t16?,19-,20-,21?/m1/s1
InChIKey
QAEBXDDJNWIKAK-AYEZPGKJSA-N
Synonyms
(1R5S8Z)6methyl8(4methylpent3en1ylidene)2phenyl3oxabicyclo(331)nonane
(1R5S8Z)6methyl8(4methylpent3enylidene)2phenyl3oxabicyclo(331)nonane
(1R5SZ)6methyl8(4methylpent3en1ylidene)2phenyl3oxabicyclo(331)nonane
CC(=CCC=C1CC(C)(C@@H)2C(C@H)1C(OC2)c1ccccc1)C
Registry IDs
MFCD01547305
ZINC000002101838
ZINC000004027978

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Available files

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