Vitas-M small molecule compound
(12aS)-2-{[(E)-(2,4-dimethoxyphenyl)methylidene]amino}-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537263
SMILES COc1cc(OC)ccc1/C=N/N1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[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 C25H26N4O4 MW 446.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4/c1-25(2)23-18(17-7-5-6-8-19(17)27-23)12-20-24(31)28(14-22(30)29(20)25)26-13-15-9-10-16(32-3)11-21(15)33-4/h5-11,13,20,27H,12,14H2,1-4H3/b26-13+/t20-/m0/s1InChIKey
PKLJTOPNHVPZRE-SCRDLHCBSA-NSynonyms
956941-85-8(12aS)2(((E)(24dimethoxyphenyl)methylidene)amino)66dimethyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6((~(E))(24dimethoxyphenyl)methylideneamino)22dimethyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
(SE)2((24dimethoxybenzylidene)amino)66dimethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
16399451
956941858
COc1cc(OC)ccc1C=NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2(C)C)(nH)c2c1cccc2
InChI=1SC25H26N4O4c125(2)2318(17756819(17)2723)122024(31)28(1422(30)29(20)25)26131591016(323)1121(15)334h511132027H1214H214H3b2613+t20m0s1
MFCD04143785
ZINC000002155415
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