Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl propylcarbamate
Catalog ID
STL560955
SMILES CCCNC(=O)OCC12COC(C(C2C)C(=CC1C)C)c1ccc2c(c1)OCO2
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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/c1-5-8-24-22(25)27-12-23-11-26-21(20(16(23)4)14(2)9-15(23)3)17-6-7-18-19(10-17)29-13-28-18/h6-7,9-10,15-16,20-21H,5,8,11-13H2,1-4H3,(H,24,25)InChIKey
QQYMHNCFEOSDHC-UHFFFAOYSA-NSynonyms
((1S5R9R)4(benzo(d)(13)dioxol5yl)689trimethyl3oxabicyclo(331)non6en1yl)methylpropylcarbamate
(4(13benzodioxol5yl)689trimethyl3oxabicyclo(331)non6en1yl)methylNpropylcarbamate
(4(13benzodioxol5yl)689trimethyl3oxabicyclo(331)non6en1yl)methylpropylcarbamate
2872166
CCCNC(=O)OC(C@@)12COC((C@H)(C2C)C(=CC1C)C)c1ccc2c(c1)OCO2
InChI=1SC23H31NO5c1582422(25)271223112621(20(16(23)4)14(2)915(23)3)17671819(1017)29132818h6791015162021H581113H214H3(H2425)
MFCD01909387
ZINC000002811042
ZINC000244794649
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