Vitas-M small molecule compound
(1R,2E,5S)-2-(1-{[cyclopropyl(4-methoxyphenyl)methyl]amino}ethylidene)-6,6-dimethylbicyclo[3.1.0]hexan-3-one
Catalog ID
STL562623
SMILES COc1ccc(cc1)C(C1CC1)N/C(=C\1/C(=O)C[C@H]2[C@@H]1C2(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 C21H27NO2 MW 325.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO2/c1-12(18-17(23)11-16-19(18)21(16,2)3)22-20(13-5-6-13)14-7-9-15(24-4)10-8-14/h7-10,13,16,19-20,22H,5-6,11H2,1-4H3/b18-12-/t16-,19-,20?/m0/s1InChIKey
KJGQFKVXAHSAKD-OUMFXXNMSA-NSynonyms
(1R2E5S)2(1((cyclopropyl(4methoxyphenyl)methyl)amino)ethylidene)66dimethylbicyclo(310)hexan3one
(1S5RZ)2(1((cyclopropyl(4methoxyphenyl)methyl)amino)ethylidene)66dimethylbicyclo(310)hexan3one
145705475
COc1ccc(cc1)C(C1CC1)NC(=C1C(=O)C(C@@H)2(C@H)1C2(C)C)C
InChI=1SC21H27NO2c112(1817(23)111619(18)21(162)3)2220(135613)147915(244)10814h7101316192022H5611H214H3b1812t161920?m0s1
MFCD32651317
ZINC000107187011
ZINC001848443242
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