Vitas-M small molecule compound

(12bS)-7-(2-chlorophenyl)-2-(2,2-dimethoxyethyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL004417
SMILES COC(CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccccc1Cl)cccc3)OC

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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 C25H26ClN3O4 MW 467.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClN3O4/c1-25-23-22(16-9-5-7-11-19(16)27-23)17(15-8-4-6-10-18(15)26)12-29(25)20(30)13-28(24(25)31)14-21(32-2)33-3/h4-11,17,21,27H,12-14H2,1-3H3/t17?,25-/m0/s1
InChIKey
OKAKEGPFQNZIFK-HHPDBAQJSA-N
Synonyms
956975-07-8
(12bS)7(2chlorophenyl)2(22dimethoxyethyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(2chlorophenyl)2(22dimethoxyethyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(12bS)7(2chlorophenyl)2(22dimethoxyethyl)12bmethyl36712tetrahydropyrazino(21a)$bcarboline14quinone
956975078
CC12C3=C(C(CN1C(=O)CN(C2=O)CC(OC)OC)C4=CC=CC=C4Cl)C5=CC=CC=C5N3
COC(CN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccccc1Cl)cccc3)OC
InChI=1SC25H26ClN3O4c1252322(169571119(16)2723)17(158461018(15)26)1229(25)20(30)1328(24(25)31)1421(322)333h411172127H1214H213H3t17?25m0s1
MFCD05675314
ZINC000008952510
ZINC000012870322

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Available files

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