Vitas-M small molecule compound
(8R,8aS,9S,12R,13aR,13bR)-8-[(4-fluorophenyl)carbonyl]-8,8a,9,10,13a,13b-hexahydro-9,12-epoxyoxepino[4',5':3,4]pyrrolo[2,1-a]isoquinolin-13(12H)-one
Catalog ID
STL532416
SMILES O=C1[C@@H]2OC[C@@H](O2)[C@H]2[C@@H]1[C@H]1N([C@H]2C(=O)c2ccc(cc2)F)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 C23H18FNO4 MW 391.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18FNO4/c24-14-7-5-13(6-8-14)21(26)20-17-16-11-28-23(29-16)22(27)18(17)19-15-4-2-1-3-12(15)9-10-25(19)20/h1-10,16-20,23H,11H2/t16-,17+,18-,19+,20-,23-/m1/s1InChIKey
YANFNRSMJXESCV-OBQNWJJYSA-NSynonyms
(1~(S)2~(S)3~(R)13~(R)14~(R)16~(R))3(4fluorobenzoyl)1719dioxa4azapentacyclo(14210^(214)0^(413)0^(712))nonadeca57911tetraen15one
(8R8aS9R12S13aR13bR)8(4fluorobenzoyl)88a91013a13bhexahydro912epoxyoxepino(4534)pyrrolo(21a)isoquinolin13(12H)one
(8R8aS9S12R13aR13bR)8((4fluorophenyl)carbonyl)88a91013a13bhexahydro912epoxyoxepino(4534)pyrrolo(21a)isoquinolin13(12H)one
6573771
InChI=1SC23H18FNO4c24147513(6814)21(26)201716112823(2916)22(27)18(17)1915421312(15)91025(19)20h110162023H11H2t1617+1819+2023m1s1
MFCD03730400
O=C1(C@H)2OC(C@H)(O2)(C@H)2(C@@H)1(C@H)1N((C@H)2C(=O)c2ccc(cc2)F)C=Cc2c1cccc2
ZINC000058986124
ZINC58986124
Check stock
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