Vitas-M small molecule compound
(12aS)-2-(2-methoxybenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457932
SMILES COc1ccccc1CN1CC(=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/c1-28-20-9-5-2-6-14(20)11-24-13-21(26)25-12-18-16(10-19(25)22(24)27)15-7-3-4-8-17(15)23-18/h2-9,19,23H,10-13H2,1H3/t19-/m0/s1InChIKey
PDXPUINALKSGQP-IBGZPJMESA-NSynonyms
956364-42-4(12aS)2(2methoxybenzyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2oanisyl671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(S)2(2methoxybenzyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
956364424
COC1=CC=CC=C1CN2CC(=O)N3CC4=C(CC3C2=O)C5=CC=CC=C5N4
COc1ccccc1CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
InChI=1SC22H21N3O3c12820952614(20)11241321(26)25121816(1019(25)22(24)27)15734817(15)2318h291923H1013H21H3t19m0s1
MFCD03659919
ZINC000004040716
ZINC04040716
ZINC4040716
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