Vitas-M small molecule compound
(12aR)-2-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528079
SMILES COc1cc(/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 C22H20N4O4 MW 404.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4/c1-30-20-8-13(6-7-19(20)27)10-23-26-12-21(28)25-11-17-15(9-18(25)22(26)29)14-4-2-3-5-16(14)24-17/h2-8,10,18,24,27H,9,11-12H2,1H3/b23-10+/t18-/m1/s1InChIKey
QAPFCSBTBKGCFB-ZICLHRSZSA-NSynonyms
(12aR)2(((E)(4hydroxy3methoxyphenyl)methylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(R))6((~(E))(4hydroxy3methoxyphenyl)methylideneamino)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
(RE)2((4hydroxy3methoxybenzylidene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
135623768
COc1cc(C=NN2CC(=O)N3(C@@H)(C2=O)Cc2c(C3)(nH)c3c2cccc3)ccc1O
InChI=1SC22H20N4O4c13020813(6719(20)27)1023261221(28)25111715(918(25)22(26)29)14423516(14)2417h2810182427H91112H21H3b2310+t18m1s1
MFCD03853743
ZINC000002151667
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