Vitas-M small molecule compound
(12aS)-6-(3-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537127
SMILES COc1ccc(cc1)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 C29H26BrN3O3 MW 544.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26BrN3O3/c1-36-21-11-9-18(10-12-21)13-14-32-17-26(34)33-25(29(32)35)16-23-22-7-2-3-8-24(22)31-27(23)28(33)19-5-4-6-20(30)15-19/h2-12,15,25,28,31H,13-14,16-17H2,1H3/t25-,28?/m0/s1InChIKey
LAWIUFVOXVGGJJ-ALLRNTDFSA-NSynonyms
956970-87-9(12aS)6(3bromophenyl)2(2(4methoxyphenyl)ethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(3bromophenyl)2(4methoxyphenethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(3bromophenyl)6(2(4methoxyphenyl)ethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401616
956970879
COc1ccc(cc1)CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)Br)(nH)c2c1cccc2
InChI=1SC29H26BrN3O3c1362111918(101221)1314321726(34)3325(29(32)35)162322723824(22)3127(23)28(33)1954620(30)1519h21215252831H13141617H21H3t2528?m0s1
MFCD05675613
ZINC000002120759
ZINC000002120761
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