Vitas-M small molecule compound
(6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one
Catalog ID
STK093751
SMILES O=C1[C@H]2OC[C@H](O2)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H19NO4 MW 373.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19NO4/c25-21(14-7-2-1-3-8-14)20-19-17-12-27-23(28-17)22(26)18(19)16-11-10-13-6-4-5-9-15(13)24(16)20/h1-11,16-20,23H,12H2/t16-,17+,18-,19-,20+,23+/m1/s1InChIKey
QDRYBDPHWJYSCP-CYHRPERRSA-NSynonyms
(6aR6bS8S11R11aR12S)12(phenylcarbonyl)6a6b101111a12hexahydro811epoxyoxepino(4534)pyrrolo(12a)quinolin7(8H)one
(6aR6bS8S11R11aR12S)12benzoyl6b8101111a12hexahydro811epoxyoxepino(4534)pyrrolo(12a)quinolin7(6aH)one
C1C2C3C(C4C=CC5=CC=CC=C5N4C3C(=O)C6=CC=CC=C6)C(=O)C(O1)O2
InChI=1SC23H19NO4c2521(147213814)201917122723(2817)22(26)18(19)16111013645915(13)24(16)20h111162023H12H2t1617+181920+23+m1s1
MFCD13368396
O=C1(C@H)2OC(C@H)(O2)(C@@H)2(C@H)1(C@H)1C=Cc3c(N1(C@@H)2C(=O)c1ccccc1)cccc3
STK093751
ZINC000003999314
ZINC03999314
ZINC3999314
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