Vitas-M small molecule compound
3-(4-methoxyphenyl)-N,2-dimethyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STL546911
SMILES COc1ccc(cc1)C1N(C)C(=O)c2c(C1C(=O)N(C[C@@H]1CCCN3[C@@H]1CCCC3)C)cccc2
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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 C29H37N3O3 MW 475.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O3/c1-30(19-21-9-8-18-32-17-7-6-12-25(21)32)29(34)26-23-10-4-5-11-24(23)28(33)31(2)27(26)20-13-15-22(35-3)16-14-20/h4-5,10-11,13-16,21,25-27H,6-9,12,17-19H2,1-3H3/t21-,25+,26?,27?/m0/s1InChIKey
MVQUCZQSOGSQBX-GICNLPSYSA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)3(4methoxyphenyl)~(N)2dimethyl1oxo34dihydroisoquinoline4carboxamide
110207830
3(4methoxyphenyl)N2dimethylN(((1S9aR)octahydro1Hquinolizin1yl)methyl)1oxo1234tetrahydroisoquinoline4carboxamide
3(4methoxyphenyl)N2dimethylN((1S9aR)octahydro2Hquinolizin1ylmethyl)1oxo1234tetrahydroisoquinoline4carboxamide
COc1ccc(cc1)C1N(C)C(=O)c2c(C1C(=O)N(C(C@@H)1CCCN3(C@@H)1CCCC3)C)cccc2
InChI=1SC29H37N3O3c130(192198183217761225(21)32)29(34)262310451124(23)28(33)31(2)27(26)20131522(353)161420h4510111316212527H69121719H213H3t2125+26?27?m0s1
ZINC000253410095
ZINC000253410098
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