Vitas-M small molecule compound
(12aS)-2-(4-fluorobenzyl)-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457969
SMILES Fc1ccc(cc1)CN1CC(=O)N2[C@H](C1=O)Cc1c(C2CCc2ccccc2)[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 C29H26FN3O2 MW 467.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FN3O2/c30-21-13-10-20(11-14-21)17-32-18-27(34)33-25(15-12-19-6-2-1-3-7-19)28-23(16-26(33)29(32)35)22-8-4-5-9-24(22)31-28/h1-11,13-14,25-26,31H,12,15-18H2/t25?,26-/m0/s1InChIKey
IDHMXTRPAFNBKE-AMVUTOCUSA-NSynonyms
957000-88-3(12aS)2(4fluorobenzyl)6(2phenylethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(4fluorobenzyl)6phenethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(4fluorobenzyl)6phenethyl671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
957000883
C1C2C(=O)N(CC(=O)N2C(C3=C1C4=CC=CC=C4N3)CCC5=CC=CC=C5)CC6=CC=C(C=C6)F
Fc1ccc(cc1)CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2CCc2ccccc2)(nH)c2c1cccc2
InChI=1SC29H26FN3O2c3021131020(111421)17321827(34)3325(1512196213719)2823(1626(33)29(32)35)22845924(22)3128h1111314252631H121518H2t25?26m0s1
MFCD03661623
ZINC000002095426
ZINC000002095428
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