Vitas-M small molecule compound
[(1R,9R)-6,8,9-trimethyl-4-(2-phenylethyl)-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl phenylcarbamate
Catalog ID
STL525544
SMILES O=C(Nc1ccccc1)OC[C@]12COC(C([C@H]2C)C(=CC1C)C)CCc1ccccc1
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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 C27H33NO3 MW 419.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO3/c1-19-16-20(2)27(18-31-26(29)28-23-12-8-5-9-13-23)17-30-24(25(19)21(27)3)15-14-22-10-6-4-7-11-22/h4-13,16,20-21,24-25H,14-15,17-18H2,1-3H3,(H,28,29)/t20?,21-,24?,25?,27-/m1/s1InChIKey
XELGSXZQIKSUPR-WULLNTPZSA-NSynonyms
1212457-41-4((1~(R)9~(R))689trimethyl4(2phenylethyl)3oxabicyclo(331)non6en1yl)methyl~(N)phenylcarbamate
((1R9R)689trimethyl4(2phenylethyl)3oxabicyclo(331)non6en1yl)methylphenylcarbamate
((1R9R)689trimethyl4phenethyl3oxabicyclo(331)non6en1yl)methylphenylcarbamate
1212457414
16396096
InChI=1SC27H33NO3c1191620(2)27(183126(29)2823128591323)173024(25(19)21(27)3)151422106471122h4131620212425H14151718H213H3(H2829)t20?2124?25?27m1s1
MFCD01547666
O=C(Nc1ccccc1)OC(C@)12COC(C((C@H)2C)C(=CC1C)C)CCc1ccccc1
ZINC000004026661
ZINC000038549646
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