Vitas-M small molecule compound
4-{5-[(acetyloxy)methyl]-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl}phenyl acetate
Catalog ID
STL560966
SMILES CC(=O)OCC12COC(C(C2C)C(=CC1C)C)c1ccc(cc1)OC(=O)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 C22H28O5 MW 372.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28O5/c1-13-10-14(2)22(11-25-16(4)23)12-26-21(20(13)15(22)3)18-6-8-19(9-7-18)27-17(5)24/h6-10,14-15,20-21H,11-12H2,1-5H3InChIKey
RJNYTRPEECCIOJ-UHFFFAOYSA-NSynonyms
(4(4acetyloxyphenyl)689trimethyl3oxabicyclo(331)non6en1yl)methylacetate
2879991
4((1R5R9S)5(acetoxymethyl)689trimethyl3oxabicyclo(331)non7en2yl)phenylacetate
4(5((acetyloxy)methyl)689trimethyl3oxabicyclo(331)non7en2yl)phenylacetate
4(5(ACETYLOXYMETHYL)689TRIMETHYL3OXABICYCLO(331)NON7EN2YL)PHENYLACETATE
ACETICACID4(5ACETOXYMETHYL689TRIMETHYL3OXABICYCLO(331)NON7EN2YL
CC(=O)OC(C@)12COC((C@H)(C2C)C(=CC1C)C)c1ccc(cc1)OC(=O)C
InChI=1SC22H28O5c1131014(2)22(112516(4)23)122621(20(13)15(22)3)186819(9718)2717(5)24h61014152021H1112H215H3
MFCD01844509
ZINC000000856753
ZINC000004151607
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