Vitas-M small molecule compound
(3E,11aS)-3-(3-methoxybenzylidene)-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Catalog ID
STL533746
SMILES COc1cccc(c1)/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 C20H18N2O3 MW 334.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O3/c1-25-16-8-4-5-13(9-16)10-17-20(24)22-12-15-7-3-2-6-14(15)11-18(22)19(23)21-17/h2-10,18H,11-12H2,1H3,(H,21,23)/b17-10+/t18-/m0/s1InChIKey
CTPDHJIBKLKSRK-LTXFRBGYSA-NSynonyms
956338-13-9(3~(E)11~(a)~(S))3((3methoxyphenyl)methylidene)1111~(a)dihydro6~(H)pyrazino(12b)isoquinoline14dione
(3E11aS)3(3methoxybenzylidene)1111adihydro2Hpyrazino(12b)isoquinoline14(3H6H)dione
(SE)3(3methoxybenzylidene)231111atetrahydro1Hpyrazino(12b)isoquinoline14(6H)dione
11876419
956338139
COc1cccc(c1)C=C1NC(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
InChI=1SC20H18N2O3c1251684513(916)101720(24)221215732614(15)1118(22)19(23)2117h21018H1112H21H3(H2123)b1710+t18m0s1
MFCD06494898
ZINC000004083790
ZINC4083790
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