Vitas-M small molecule compound

(3E,8aS)-3-benzylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Catalog ID
STL526617
SMILES O=C1N/C(=C/c2ccccc2)/C(=O)N2[C@H]1CCC2

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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 C14H14N2O2 MW 242.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2,(H,15,17)/b11-9+/t12-/m0/s1
InChIKey
QNHNSZPWSAZCLD-ZKQHCESOSA-N
Synonyms
286838-84-4
(3~(E)8~(a)~(S))3benzylidene6788~(a)tetrahydropyrrolo(12a)pyrazine14dione
(3E8aS)3benzylidenehexahydropyrrolo(12a)pyrazine14dione
(SE)3benzylidenehexahydropyrrolo(12a)pyrazine14dione
11874102
286838844
InChI=1SC14H14N2O2c17131274816(12)14(18)11(1513)9105213610h1356912H478H2(H1517)b119+t12m0s1
MFCD03005823
O=C1NC(=Cc2ccccc2)C(=O)N2(C@H)1CCC2
ZINC000004029300
ZINC4029300

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Available files

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