Vitas-M small molecule compound
(12aS)-2-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL526729
SMILES COc1ccc(cc1)CCN1CC(=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 C25H27N3O3 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3/c1-25(2)23-19(18-6-4-5-7-20(18)26-23)14-21-24(30)27(15-22(29)28(21)25)13-12-16-8-10-17(31-3)11-9-16/h4-11,21,26H,12-15H2,1-3H3/t21-/m0/s1InChIKey
FKEBGNQYRQATGB-NRFANRHFSA-NSynonyms
957001-30-8(12aS)2(2(4methoxyphenyl)ethyl)66dimethyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(2(4methoxyphenyl)ethyl)22dimethyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
(S)2(4methoxyphenethyl)66dimethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
1761842
957001308
COc1ccc(cc1)CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2(C)C)(nH)c2c1cccc2
InChI=1SC25H27N3O3c125(2)2319(18645720(18)2623)142124(30)27(1522(29)28(21)25)13121681017(313)11916h4112126H1215H213H3t21m0s1
MFCD03266145
ZINC000002106826
ZINC2106826
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