Vitas-M small molecule compound
[(1R,9R)-4-(1,3-benzodioxol-5-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl propan-2-ylcarbamate
Catalog ID
STL525844
SMILES CC(NC(=O)OC[C@]12COC(C([C@@H]2C)C(=CC1C)C)c1ccc2c(c1)OCO2)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 C23H31NO5 MW 401.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO5/c1-13(2)24-22(25)27-11-23-10-26-21(20(16(23)5)14(3)8-15(23)4)17-6-7-18-19(9-17)29-12-28-18/h6-9,13,15-16,20-21H,10-12H2,1-5H3,(H,24,25)/t15?,16-,20?,21?,23-/m1/s1InChIKey
KXOHUCVGAGGFNH-ZTPBVEAGSA-NSynonyms
1212463-49-4((1~(R)9~(R))4(13benzodioxol5yl)689trimethyl3oxabicyclo(331)non6en1yl)methyl~(N)propan2ylcarbamate
((1R9R)4(13benzodioxol5yl)689trimethyl3oxabicyclo(331)non6en1yl)methylpropan2ylcarbamate
((1R9R)4(benzo(d)(13)dioxol5yl)689trimethyl3oxabicyclo(331)non6en1yl)methylisopropylcarbamate
1212463494
16395492
CC(NC(=O)OC(C@)12COC(C((C@H)2C)C(=CC1C)C)c1ccc2c(c1)OCO2)C
InChI=1SC23H31NO5c113(2)2422(25)271123102621(20(16(23)5)14(3)815(23)4)17671819(917)29122818h691315162021H1012H215H3(H2425)t15?1620?21?23m1s1
MFCD01545193
ZINC000004025058
ZINC000038545707
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