Vitas-M small molecule compound
(12aS)-2-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457900
SMILES COc1cc(/C=N/N2CC(=O)N3[C@H](C2=O)Cc2c(C3)[nH]c3c2cccc3)ccc1OC
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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/c1-30-20-8-7-14(9-21(20)31-2)11-24-27-13-22(28)26-12-18-16(10-19(26)23(27)29)15-5-3-4-6-17(15)25-18/h3-9,11,19,25H,10,12-13H2,1-2H3/b24-11+/t19-/m0/s1InChIKey
LOEJVNJEUIDEDU-AZCDICLMSA-NSynonyms
(12aS)2(((E)(34dimethoxyphenyl)methylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2((E)veratrylideneamino)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(RE)2((34dimethoxybenzylidene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
COC1=C(C=C(C=C1)C=NN2CC(=O)N3CC4=C(CC3C2=O)C5=CC=CC=C5N4)OC
COc1cc(C=NN2CC(=O)N3(C@@H)(C2=O)Cc2c(C3)(nH)c3c2cccc3)ccc1OC
COc1cc(C=NN2CC(=O)N3(C@H)(C2=O)Cc2c(C3)(nH)c3c2cccc3)ccc1OC
InChI=1SC23H22N4O4c130208714(921(20)312)1124271322(28)26121816(1019(26)23(27)29)15534617(15)2518h39111925H101213H212H3b2411+t19m0s1
MFCD03852896
ZINC000002093993
ZINC33937993
Check stock
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Check stock on Vitas-MAvailable files
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