Vitas-M small molecule compound
(12aS)-2-(4-methoxybenzyl)-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457966
SMILES COc1ccc(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 C30H29N3O3 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O3/c1-36-22-14-11-21(12-15-22)18-32-19-28(34)33-26(16-13-20-7-3-2-4-8-20)29-24(17-27(33)30(32)35)23-9-5-6-10-25(23)31-29/h2-12,14-15,26-27,31H,13,16-19H2,1H3/t26?,27-/m0/s1InChIKey
BBUMANDKAOOTBQ-GEVKEYJPSA-NSynonyms
956968-32-4(12aS)2(4methoxybenzyl)6(2phenylethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(4methoxybenzyl)6phenethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2panisyl6phenethyl671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
956968324
COC1=CC=C(C=C1)CN2CC(=O)N3C(C2=O)CC4=C(C3CCC5=CC=CC=C5)NC6=CC=CC=C46
COc1ccc(cc1)CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2CCc2ccccc2)(nH)c2c1cccc2
InChI=1SC30H29N3O3c13622141121(121522)18321928(34)3326(1613207324820)2924(1727(33)30(32)35)239561025(23)3129h2121415262731H131619H21H3t26?27m0s1
MFCD03661473
ZINC000002148696
ZINC000002148698
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