Vitas-M small molecule compound
(12aS)-2-(4-methoxybenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457929
SMILES COc1ccc(cc1)CN1CC(=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 C22H21N3O3 MW 375.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3/c1-28-15-8-6-14(7-9-15)11-24-13-21(26)25-12-19-17(10-20(25)22(24)27)16-4-2-3-5-18(16)23-19/h2-9,20,23H,10-13H2,1H3/t20-/m0/s1InChIKey
OEFQEGQMONULFX-FQEVSTJZSA-NSynonyms
956371-99-6(12aS)2(4methoxybenzyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2panisyl671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(S)2(4methoxybenzyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
956371996
COC1=CC=C(C=C1)CN2CC(=O)N3CC4=C(CC3C2=O)C5=CC=CC=C5N4
COc1ccc(cc1)CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
InChI=1SC22H21N3O3c128158614(7915)11241321(26)25121917(1020(25)22(24)27)16423518(16)2319h292023H1013H21H3t20m0s1
MFCD03660171
ZINC000004041454
ZINC04041454
ZINC4041454
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