Vitas-M small molecule compound
(8R,8aS,13aR)-8-(2,2-dimethylpropanoyl)-8,8a,9,10,13a,13b-hexahydro-9,12-epoxyoxepino[4',5':3,4]pyrrolo[2,1-a]isoquinolin-13(12H)-one
Catalog ID
STL526041
SMILES O=C1C2OCC(O2)[C@H]2[C@@H]1C1N([C@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2
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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 C21H23NO4 MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO4/c1-21(2,3)19(24)17-14-13-10-25-20(26-13)18(23)15(14)16-12-7-5-4-6-11(12)8-9-22(16)17/h4-9,13-17,20H,10H2,1-3H3/t13?,14-,15+,16?,17+,20?/m0/s1InChIKey
UPJCBOWTRMHLOB-BEDMTGGISA-NSynonyms
(2~(S)3~(R)14~(R))3(22dimethylpropanoyl)1719dioxa4azapentacyclo(14210^(214)0^(413)0^(712))nonadeca57911tetraen15one
(8R8aR9R12S13aR)8pivaloyl88a91013a13bhexahydro912epoxyoxepino(4534)pyrrolo(21a)isoquinolin13(12H)one
(8R8aS13aR)8(22dimethylpropanoyl)88a91013a13bhexahydro912epoxyoxepino(4534)pyrrolo(21a)isoquinolin13(12H)one
16397128
InChI=1SC21H23NO4c121(23)19(24)171413102520(2613)18(23)15(14)1612754611(12)8922(16)17h49131720H10H213H3t13?1415+16?17+20?m0s1
MFCD02185804
O=C1C2OCC(O2)(C@H)2(C@@H)1C1N((C@H)2C(=O)C(C)(C)C)C=Cc2c1cccc2
ZINC000105366709
ZINC000252695090
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