Vitas-M small molecule compound
(12aS)-2-{[(E)-(4-methoxyphenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457937
SMILES COc1ccc(cc1)/C=N/N1CC(=O)N2[C@H](C1=O)Cc1c(C2)[nH]c2c1cccc2
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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 C22H20N4O3 MW 388.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3/c1-29-15-8-6-14(7-9-15)11-23-26-13-21(27)25-12-19-17(10-20(25)22(26)28)16-4-2-3-5-18(16)24-19/h2-9,11,20,24H,10,12-13H2,1H3/b23-11+/t20-/m0/s1InChIKey
OWQUXFVQYGOYMV-BLXMRYOQSA-NSynonyms
956801-72-2(12aS)2(((E)(4methoxyphenyl)methylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2((E)panisylideneamino)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(SE)2((4methoxybenzylidene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
956801722
COC1=CC=C(C=C1)C=NN2CC(=O)N3CC4=C(CC3C2=O)C5=CC=CC=C5N4
COc1ccc(cc1)C=NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
InChI=1SC22H20N4O3c129158614(7915)1123261321(27)25121917(1020(25)22(26)28)16423518(16)2419h29112024H101213H21H3b2311+t20m0s1
MFCD03661769
ZINC000004046080
ZINC33656724
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