Vitas-M small molecule compound
(12aS)-6-(3-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529226
SMILES COc1ccc(cc1OC)CCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)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 C30H28BrN3O4 MW 574.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28BrN3O4/c1-37-25-11-10-18(14-26(25)38-2)12-13-33-17-27(35)34-24(30(33)36)16-22-21-8-3-4-9-23(21)32-28(22)29(34)19-6-5-7-20(31)15-19/h3-11,14-15,24,29,32H,12-13,16-17H2,1-2H3/t24-,29?/m0/s1InChIKey
YGELOVQYWCYWHC-CTLOQAHHSA-NSynonyms
956819-06-0(12aS)6(3bromophenyl)2(2(34dimethoxyphenyl)ethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(3bromophenyl)2(34dimethoxyphenethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(3bromophenyl)6(2(34dimethoxyphenyl)ethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16403825
956819060
COc1ccc(cc1OC)CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)Br)(nH)c2c1cccc2
InChI=1SC30H28BrN3O4c13725111018(1426(25)382)1213331727(35)3424(30(33)36)162221834923(21)3228(22)29(34)1965720(31)1519h3111415242932H12131617H212H3t2429?m0s1
MFCD05725564
ZINC000070699481
ZINC000070699484
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