Vitas-M small molecule compound
(12aS)-2-(2-methoxybenzyl)-6-(4-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529279
SMILES COc1ccccc1CN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)[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/c1-37-24-9-5-2-6-18(24)15-30-16-25(33)31-23(28(30)34)14-21-20-7-3-4-8-22(20)29-26(21)27(31)17-10-12-19(13-11-17)32(35)36/h2-13,23,27,29H,14-16H2,1H3/t23-,27?/m0/s1InChIKey
QQXLCBRLTRIJQU-DCCUJTHKSA-NSynonyms
956822-41-6(12aS)2(2methoxybenzyl)6(4nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(2methoxybenzyl)6(4nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6((2methoxyphenyl)methyl)2(4nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401113
956822416
COc1ccccc1CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)(N+)(=O)(O))(nH)c2c1cccc2
InChI=1SC28H24N4O5c13724952618(24)15301625(33)3123(28(30)34)142120734822(20)2926(21)27(31)17101219(131117)32(35)36h213232729H1416H21H3t2327?m0s1
MFCD05672892
ZINC000001877005
ZINC000001877007
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