Vitas-M small molecule compound
(11bR,12R)-9,10-dimethoxy-3,3,12-trimethyl-3,4,6,7,11b,12-hexahydro-1H-isoquino[2,1-a]quinoline-1,13(2H)-dione
Catalog ID
STL525977
SMILES COc1cc2c(cc1OC)CCN1[C@@H]2[C@@H](C)C(=O)C2=C1CC(CC2=O)(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 C22H27NO4 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4/c1-12-20-14-9-18(27-5)17(26-4)8-13(14)6-7-23(20)15-10-22(2,3)11-16(24)19(15)21(12)25/h8-9,12,20H,6-7,10-11H2,1-5H3/t12-,20-/m1/s1InChIKey
ISVXKYNDCWSYDP-MPBGBICISA-NSynonyms
152886-74-3(11~(b)~(R)12~(R))910dimethoxy3312trimethyl246711~(b)12hexahydroisoquinolino(21a)quinoline113dione
(11bR12R)910dimethoxy3312trimethyl346711b12hexahydro1Hisoquino(21a)quinoline113(2H)dione
(11bR12R)910dimethoxy3312trimethyl346711b12hexahydro1Hisoquinolino(21a)quinoline113(2H)dione
152886743
7074856
COc1cc2c(cc1OC)CCN1(C@@H)2(C@@H)(C)C(=O)C2=C1CC(CC2=O)(C)C
InChI=1SC22H27NO4c1122014918(275)17(264)813(14)6723(20)151022(23)1116(24)19(15)21(12)25h891220H671011H215H3t1220m1s1
MFCD01543813
ZINC000004023376
ZINC4023376
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