Vitas-M small molecule compound
(1S,2Z,5R)-2-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-6,6-dimethylbicyclo[3.1.0]hexan-3-one
Catalog ID
STL527989
SMILES COc1ccc(cc1N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C)OC
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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 C18H23NO3 MW 301.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23NO3/c1-10(16-14(20)9-12-17(16)18(12,2)3)19-13-8-11(21-4)6-7-15(13)22-5/h6-8,12,17,19H,9H2,1-5H3/b16-10+/t12-,17-/m1/s1InChIKey
LJBZMFBHNVGSTD-XGVBJGJYSA-NSynonyms
(1~(S)2~(Z)5~(R))2(1(25dimethoxyanilino)ethylidene)66dimethylbicyclo(310)hexan3one
(1R4Z5S)4(1(25DIMETHOXYANILINO)ETHYLIDENE)66DIMETHYLBICYCLO(310)HEXAN3ONE
(1S2Z5R)2(1((25dimethoxyphenyl)amino)ethylidene)66dimethylbicyclo(310)hexan3one
(1S5RZ)2(1((25dimethoxyphenyl)amino)ethylidene)66dimethylbicyclo(310)hexan3one
5417075
COc1ccc(cc1NC(=C1C(=O)C(C@@H)2(C@H)1C2(C)C)C)OC
InChI=1SC18H23NO3c110(1614(20)91217(16)18(122)3)1913811(214)6715(13)225h68121719H9H215H3b1610+t1217m1s1
MFCD03661544
ZINC000012661630
ZINC12661630
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