Vitas-M small molecule compound
(12aS)-6-(3-bromophenyl)-2-[2-(3-fluorophenyl)ethyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536883
SMILES Fc1cccc(c1)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 C28H23BrFN3O2 MW 532.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23BrFN3O2/c29-19-7-4-6-18(14-19)27-26-22(21-9-1-2-10-23(21)31-26)15-24-28(35)32(16-25(34)33(24)27)12-11-17-5-3-8-20(30)13-17/h1-10,13-14,24,27,31H,11-12,15-16H2/t24-,27?/m0/s1InChIKey
GTCOYCHPSNDBGX-BXXZMZEQSA-NSynonyms
956935-45-8(12aS)6(3bromophenyl)2(2(3fluorophenyl)ethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(3bromophenyl)2(3fluorophenethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(3bromophenyl)6(2(3fluorophenyl)ethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401218
956935458
Fc1cccc(c1)CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)Br)(nH)c2c1cccc2
InChI=1SC28H23BrFN3O2c291974618(1419)272622(219121023(21)3126)152428(35)32(1625(34)33(24)27)12111753820(30)1317h1101314242731H11121516H2t2427?m0s1
MFCD05673482
ZINC000002115756
ZINC000002115757
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