Vitas-M small molecule compound
(3E,11aS)-3-(4-methylbenzylidene)-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Catalog ID
STL531247
SMILES O=C1N/C(=C/c2ccc(cc2)C)/C(=O)N2[C@H]1Cc1ccccc1C2
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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 C20H18N2O2 MW 318.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O2/c1-13-6-8-14(9-7-13)10-17-20(24)22-12-16-5-3-2-4-15(16)11-18(22)19(23)21-17/h2-10,18H,11-12H2,1H3,(H,21,23)/b17-10+/t18-/m0/s1InChIKey
JRJXEAWUHRZMMV-LTXFRBGYSA-NSynonyms
956276-27-0(3~(E)11~(a)~(S))3((4methylphenyl)methylidene)1111~(a)dihydro6~(H)pyrazino(12b)isoquinoline14dione
(3E11aS)3(4methylbenzylidene)1111adihydro2Hpyrazino(12b)isoquinoline14(3H6H)dione
(SE)3(4methylbenzylidene)231111atetrahydro1Hpyrazino(12b)isoquinoline14(6H)dione
11876291
956276270
InChI=1SC20H18N2O2c1136814(9713)101720(24)221216532415(16)1118(22)19(23)2117h21018H1112H21H3(H2123)b1710+t18m0s1
MFCD06493227
O=C1NC(=Cc2ccc(cc2)C)C(=O)N2(C@H)1Cc1ccccc1C2
ZINC000004082598
ZINC4082598
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