Vitas-M small molecule compound
(1S,2Z,5R)-6,6-dimethyl-2-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)ethylidene]bicyclo[3.1.0]hexan-3-one
Catalog ID
STL560721
SMILES O=C1C[C@@H]2[C@H](/C/1=C(/N1CC3(CC1CC(C3)(C)C)C)\C)C2(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 C20H31NO MW 301.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31NO/c1-12(16-15(22)7-14-17(16)19(14,4)5)21-11-20(6)9-13(21)8-18(2,3)10-20/h13-14,17H,7-11H2,1-6H3/b16-12+/t13?,14-,17-,20?/m1/s1InChIKey
YMYZFEUFVGKZEM-MYTSHZAYSA-NSynonyms
(1S2Z5R)66dimethyl2(1(133trimethyl6azabicyclo(321)oct6yl)ethylidene)bicyclo(310)hexan3one
(1S2Z5R)66dimethyl2(1(133trimethyl6azabicyclo(321)octan6yl)ethylidene)bicyclo(310)hexan3one
(1S5RZ)66dimethyl2(1((1R5S)133trimethyl6azabicyclo(321)octan6yl)ethylidene)bicyclo(310)hexan3one
16396525
InChI=1SC20H31NOc112(1615(22)71417(16)19(144)5)211120(6)913(21)818(23)1020h131417H711H216H3b1612+t13?141720?m1s1
O=C1C(C@@H)2(C@H)(C1=C(N1CC3(CC1CC(C3)(C)C)C)C)C2(C)C
ZINC000100744026
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