Vitas-M small molecule compound

(12aS)-2-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL457935
SMILES COc1c(cccc1OC)/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 C23H22N4O4 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4/c1-30-20-9-5-6-14(22(20)31-2)11-24-27-13-21(28)26-12-18-16(10-19(26)23(27)29)15-7-3-4-8-17(15)25-18/h3-9,11,19,25H,10,12-13H2,1-2H3/b24-11+/t19-/m0/s1
InChIKey
NWFZAAHCMIXAGO-AZCDICLMSA-N
Synonyms

(12aS)2(((E)(23dimethoxyphenyl)methylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2((E)(23dimethoxybenzylidene)amino)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(RE)2((23dimethoxybenzylidene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
COC1=CC=CC(=C1OC)C=NN2CC(=O)N3CC4=C(CC3C2=O)C5=CC=CC=C5N4
COc1c(cccc1OC)C=NN1CC(=O)N2(C@@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
COc1c(cccc1OC)C=NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
InChI=1SC23H22N4O4c1302095614(22(20)312)1124271321(28)26121816(1019(26)23(27)29)15734817(15)2518h39111925H101213H212H3b2411+t19m0s1
MFCD03851026
ZINC000002148000
ZINC38159597

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Available files

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