Vitas-M small molecule compound

((1S,4R,5R,8S,9R)-4-(benzo[d][1,3]dioxol-5-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl pentylcarbamate

Catalog ID
STL552722
SMILES CCCCCNC(=O)OCC12COC(C([C@@H]2C)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 C25H35NO5 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35NO5/c1-5-6-7-10-26-24(27)29-14-25-13-28-23(22(18(25)4)16(2)11-17(25)3)19-8-9-20-21(12-19)31-15-30-20/h8-9,11-12,17-18,22-23H,5-7,10,13-15H2,1-4H3,(H,26,27)/t17?,18-,22?,23?,25?/m1/s1
InChIKey
BTQCHPRUVKAYMZ-ZPPQYTOJSA-N
Synonyms
1212467-77-0
((1S4R5R8S9R)4(benzo(d)(13)dioxol5yl)689trimethyl3oxabicyclo(331)non6en1yl)methylpentylcarbamate
((9~(R))4(13benzodioxol5yl)689trimethyl3oxabicyclo(331)non6en1yl)methyl~(N)pentylcarbamate
1212467770
16395417
CCCCCNC(=O)OCC12COC(C((C@H)2C)C(=CC1C)C)c1ccc2c(c1)OCO2
InChI=1SC25H35NO5c1567102624(27)291425132823(22(18(25)4)16(2)1117(25)3)19892021(1219)31153020h89111217182223H57101315H214H3(H2627)t17?1822?23?25?m1s1
ZINC000004024644
ZINC000252693197

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Available files

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