Vitas-M small molecule compound
[4-(4-methoxyphenyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate
Catalog ID
STK094764
SMILES COc1ccc(cc1)C1OCC2(C(C1C(=CC2C)C)C)COC(=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 C21H28O4 MW 344.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28O4/c1-13-10-14(2)21(11-24-16(4)22)12-25-20(19(13)15(21)3)17-6-8-18(23-5)9-7-17/h6-10,14-15,19-20H,11-12H2,1-5H3InChIKey
WSCCZHJZVDZUSC-UHFFFAOYSA-NSynonyms
((1S5R9R)4(4methoxyphenyl)689trimethyl3oxabicyclo(331)non6en1yl)methylacetate
(4(4METHOXYPHENYL)689TRIMETHYL3OXABICYCLO(331)NON6EN1YL)METHYLACETATE
(4(4METHOXYPHENYL)689TRIMETHYL3OXABICYCLO(331)NON6ENYL)METHYLACETATE
(8(4METHOXYPHENYL)249TRIMETHYL7OXABICYCLO(331)NON2EN5YL)METHYLACETATE
CC1C=C(C2C(C1(COC2C3=CC=C(C=C3)OC)COC(=O)C)C)C
COc1ccc(cc1)C1OC(C@)2(C((C@@H)1C(=CC2C)C)C)COC(=O)C
COc1ccc(cc1)C1OCC2(C(C1C(=CC2C)C)C)COC(=O)C
InChI=1SC21H28O4c1131014(2)21(112416(4)22)122520(19(13)15(21)3)176818(235)9717h61014151920H1112H215H3
MFCD01118027
STK094764
ZINC000101138523
ZINC000239235782
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