Vitas-M small molecule compound
(2E)-3-(4-methoxyphenyl)-1-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]prop-2-en-1-one
Catalog ID
STL552734
SMILES COc1ccc(cc1)/C=C/C(=O)N1CC2(CC1CC(C2)(C)C)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 C20H27NO2 MW 313.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO2/c1-19(2)11-16-12-20(3,13-19)14-21(16)18(22)10-7-15-5-8-17(23-4)9-6-15/h5-10,16H,11-14H2,1-4H3/b10-7+InChIKey
YUNPEDDTJNLGFQ-JXMROGBWSA-NSynonyms
(~(E))3(4methoxyphenyl)1(133trimethyl6azabicyclo(321)octan6yl)prop2en1one
(2E)3(4methoxyphenyl)1((5R)133trimethyl6azabicyclo(321)oct6yl)prop2en1one
(E)3(4methoxyphenyl)1((1R5S)133trimethyl6azabicyclo(321)octan6yl)prop2en1one
(E)3(4METHOXYPHENYL)1(335TRIMETHYL7AZABICYCLO(321)OCTAN7YL)PROP2EN1ONE
5856873
COc1ccc(cc1)C=CC(=O)N1CC2(CC1CC(C2)(C)C)C
InChI=1SC20H27NO2c119(2)11161220(31319)1421(16)18(22)107155817(234)9615h51016H1114H214H3b107+
ZINC000100744414
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