Vitas-M small molecule compound
(3E,11aS)-3-benzylidene-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Catalog ID
STL530482
SMILES O=C1N/C(=C/c2ccccc2)/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 C19H16N2O2 MW 304.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O2/c22-18-17-11-14-8-4-5-9-15(14)12-21(17)19(23)16(20-18)10-13-6-2-1-3-7-13/h1-10,17H,11-12H2,(H,20,22)/b16-10+/t17-/m0/s1InChIKey
YDSGWHFNXFXULX-KGZWWPETSA-NSynonyms
956250-31-0(3~(E)11~(a)~(S))3benzylidene1111~(a)dihydro6~(H)pyrazino(12b)isoquinoline14dione
(3E11aS)3benzylidene1111adihydro2Hpyrazino(12b)isoquinoline14(3H6H)dione
(SE)3benzylidene231111atetrahydro1Hpyrazino(12b)isoquinoline14(6H)dione
11876231
956250310
InChI=1SC19H16N2O2c2218171114845915(14)1221(17)19(23)16(2018)10136213713h11017H1112H2(H2022)b1610+t17m0s1
MFCD06492533
O=C1NC(=Cc2ccccc2)C(=O)N2(C@H)1Cc1ccccc1C2
ZINC000004082301
ZINC4082301
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