Vitas-M small molecule compound
(12aS)-2-{[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537770
SMILES CCOc1cc(/C=N/N2CC(=O)N3[C@H](C2=O)Cc2c(C3)[nH]c3c2cccc3)ccc1O
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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 C23H22N4O4 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4/c1-2-31-21-9-14(7-8-20(21)28)11-24-27-13-22(29)26-12-18-16(10-19(26)23(27)30)15-5-3-4-6-17(15)25-18/h3-9,11,19,25,28H,2,10,12-13H2,1H3/b24-11+/t19-/m0/s1InChIKey
SFUYHZVMEHPOAU-AZCDICLMSA-NSynonyms
(12aS)2(((E)(3ethoxy4hydroxyphenyl)methylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6((~(E))(3ethoxy4hydroxyphenyl)methylideneamino)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
(SE)2((3ethoxy4hydroxybenzylidene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
135623765
CCOc1cc(C=NN2CC(=O)N3(C@H)(C2=O)Cc2c(C3)(nH)c3c2cccc3)ccc1O
InChI=1SC23H22N4O4c123121914(7820(21)28)1124271322(29)26121816(1019(26)23(27)30)15534617(15)2518h3911192528H2101213H21H3b2411+t19m0s1
MFCD03853067
ZINC000004046475
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