Vitas-M small molecule compound
(12aS)-2-(2-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
STL457970
SMILES COc1ccccc1CN1CC(=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/c1-36-27-14-8-5-11-21(27)18-32-19-28(34)33-25(16-15-20-9-3-2-4-10-20)29-23(17-26(33)30(32)35)22-12-6-7-13-24(22)31-29/h2-14,25-26,31H,15-19H2,1H3/t25?,26-/m0/s1InChIKey
OBXQCPLNSIGIKR-AMVUTOCUSA-NSynonyms
956968-86-8(12aS)2(2methoxybenzyl)6(2phenylethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(2methoxybenzyl)6phenethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2oanisyl6phenethyl671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
956968868
COC1=CC=CC=C1CN2CC(=O)N3C(C2=O)CC4=C(C3CCC5=CC=CC=C5)NC6=CC=CC=C46
COc1ccccc1CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2CCc2ccccc2)(nH)c2c1cccc2
InChI=1SC30H29N3O3c1362714851121(27)18321928(34)3325(16152093241020)2923(1726(33)30(32)35)2212671324(22)3129h214252631H1519H21H3t25?26m0s1
MFCD03661428
ZINC000002150701
ZINC000002150705
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