Vitas-M small molecule compound
(12aS)-6,6-dimethyl-2-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536684
SMILES COc1cc(/C=N/N2CC(=O)N3[C@H](C2=O)Cc2c(C3(C)C)[nH]c3c2cccc3)cc(c1OC)OC
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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 C26H28N4O5 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O5/c1-26(2)24-17(16-8-6-7-9-18(16)28-24)12-19-25(32)29(14-22(31)30(19)26)27-13-15-10-20(33-3)23(35-5)21(11-15)34-4/h6-11,13,19,28H,12,14H2,1-5H3/b27-13+/t19-/m0/s1InChIKey
QLXLGGZMUKDBQY-LZKBWWOWSA-NSynonyms
956730-17-9(12aS)66dimethyl2(((E)(345trimethoxyphenyl)methylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))22dimethyl6((~(E))(345trimethoxyphenyl)methylideneamino)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
(SE)66dimethyl2((345trimethoxybenzylidene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
956730179
9620253
COc1cc(C=NN2CC(=O)N3(C@H)(C2=O)Cc2c(C3(C)C)(nH)c3c2cccc3)cc(c1OC)OC
InChI=1SC26H28N4O5c126(2)2417(16867918(16)2824)121925(32)29(1422(31)30(19)26)2713151020(333)23(355)21(1115)344h611131928H1214H215H3b2713+t19m0s1
ZINC000002104517
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