Vitas-M small molecule compound
(3E,11aS)-3-(2,4-dimethoxybenzylidene)-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Catalog ID
STL565500
SMILES COc1cc(OC)ccc1/C=C\1/NC(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
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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 C21H20N2O4 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4/c1-26-16-8-7-14(19(11-16)27-2)9-17-21(25)23-12-15-6-4-3-5-13(15)10-18(23)20(24)22-17/h3-9,11,18H,10,12H2,1-2H3,(H,22,24)/b17-9+/t18-/m0/s1InChIKey
HNXFGEZELAWBJN-GONKEYIRSA-NSynonyms
956271-41-3(3E11aS)3((24dimethoxyphenyl)methylidene)1111adihydro6Hpyrazino(12b)isoquinoline14dione
(3E11aS)3(24dimethoxybenzylidene)1111adihydro2Hpyrazino(12b)isoquinoline14(3H6H)dione
(SE)3(24dimethoxybenzylidene)231111atetrahydro1Hpyrazino(12b)isoquinoline14(6H)dione
11876668
956271413
COc1cc(OC)ccc1C=C1NC(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
InChI=1SC21H20N2O4c126168714(19(1116)272)91721(25)231215643513(15)1018(23)20(24)2217h391118H1012H212H3(H2224)b179+t18m0s1
MFCD06766414
ZINC000004085034
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