Vitas-M small molecule compound
(12aS)-6-(4-bromophenyl)-2-(3-ethoxypropyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL546511
SMILES CCOCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)Br)[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 C25H26BrN3O3 MW 496.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrN3O3/c1-2-32-13-5-12-28-15-22(30)29-21(25(28)31)14-19-18-6-3-4-7-20(18)27-23(19)24(29)16-8-10-17(26)11-9-16/h3-4,6-11,21,24,27H,2,5,12-15H2,1H3/t21-,24?/m0/s1InChIKey
HYYIFOIESJJIJW-XEGCMXMBSA-NSynonyms
956944-89-1(12aS)6(4bromophenyl)2(3ethoxypropyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(4bromophenyl)2(3ethoxypropyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(4bromophenyl)6(3ethoxypropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400871
956944891
CCOCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)Br)(nH)c2c1cccc2
InChI=1SC25H26BrN3O3c123213512281522(30)2921(25(28)31)141918634720(18)2723(19)24(29)1681017(26)11916h34611212427H251215H21H3t2124?m0s1
MFCD05672164
ZINC000002111956
ZINC000002111958
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