Vitas-M small molecule compound
(12aR)-2-(4-methoxybenzyl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL534331
SMILES COc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[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 C28H24N4O5 MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O5/c1-37-20-11-9-17(10-12-20)15-30-16-25(33)31-24(28(30)34)14-22-21-7-2-3-8-23(21)29-26(22)27(31)18-5-4-6-19(13-18)32(35)36/h2-13,24,27,29H,14-16H2,1H3/t24-,27?/m1/s1InChIKey
IOFZUMYZTXNVLA-DXDQHDRFSA-NSynonyms
(12aR)2(4methoxybenzyl)6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(4methoxybenzyl)6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6((4methoxyphenyl)methyl)2(3nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
44667609
COc1ccc(cc1)CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)(N+)(=O)(O))(nH)c2c1cccc2
InChI=1SC28H24N4O5c1372011917(101220)15301625(33)3124(28(30)34)142221723823(21)2926(22)27(31)1854619(1318)32(35)36h213242729H1416H21H3t2427?m1s1
ZINC000008914808
ZINC000016042363
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