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 butylcarbamate

Catalog ID
STL562334
SMILES CCCCNC(=O)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 C25H37NO3 MW 399.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37NO3/c1-5-6-14-26-24(27)29-17-25-16-28-22(13-12-21-10-8-7-9-11-21)23(20(25)4)18(2)15-19(25)3/h7-11,15,19-20,22-23H,5-6,12-14,16-17H2,1-4H3,(H,26,27)/t19?,20-,22?,23?,25-/m1/s1
InChIKey
HAXPIHGDJPFPIL-IBJKYGLKSA-N
Synonyms
((1R9R)689trimethyl4(2phenylethyl)3oxabicyclo(331)non6en1yl)methylbutylcarbamate
((1R9R)689trimethyl4(2phenylethyl)3oxabicyclo(331)non6en1yl)methylNbutylcarbamate
((1R9R)689trimethyl4phenethyl3oxabicyclo(331)non6en1yl)methylbutylcarbamate
CCCCNC(=O)OC(C@)12COC(C((C@H)2C)C(=CC1C)C)CCc1ccccc1
Registry IDs
MFCD01544243
ZINC000100740967
ZINC000252694009

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.