Vitas-M small molecule compound
[(1R,9R)-4-butyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl butylcarbamate
Catalog ID
STL562188
SMILES CCCCNC(=O)OC[C@]12COC(C([C@@H]2C)C(=CC1C)C)CCCC
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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 C21H37NO3 MW 351.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H37NO3/c1-6-8-10-18-19-15(3)12-16(4)21(13-24-18,17(19)5)14-25-20(23)22-11-9-7-2/h12,16-19H,6-11,13-14H2,1-5H3,(H,22,23)/t16?,17-,18?,19?,21-/m1/s1InChIKey
WJHCKHVBUITAAF-NPUISUJTSA-NSynonyms
((1R9R)4butyl689trimethyl3oxabicyclo(331)non6en1yl)methylbutylcarbamate
((1R9R)4butyl689trimethyl3oxabicyclo(331)non6en1yl)methylNbutylcarbamate
16395106
CCCCNC(=O)OC(C@)12COC(C((C@H)2C)C(=CC1C)C)CCCC
InChI=1SC21H37NO3c16810181915(3)1216(4)21(13241817(19)5)142520(23)2211972h121619H6111314H215H3(H2223)t16?1718?19?21m1s1
MFCD01543656
ZINC000100740695
ZINC000105363550
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