Vitas-M small molecule compound
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-5-oxopyrrolidine-3-carboxamide
Catalog ID
STL546408
SMILES COc1cc(CCN2CC(CC2=O)C(=O)N(C[C@@H]2CCCN3[C@@H]2CCCC3)C)ccc1OC
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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 C26H39N3O4 MW 457.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39N3O4/c1-27(17-20-7-6-13-28-12-5-4-8-22(20)28)26(31)21-16-25(30)29(18-21)14-11-19-9-10-23(32-2)24(15-19)33-3/h9-10,15,20-22H,4-8,11-14,16-18H2,1-3H3/t20-,21?,22+/m0/s1InChIKey
CBTONCXVHJOHKF-JAFNVKOHSA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)1(2(34dimethoxyphenyl)ethyl)~(N)methyl5oxopyrrolidine3carboxamide
1(2(34dimethoxyphenyl)ethyl)NmethylN((1S9aR)octahydro2Hquinolizin1ylmethyl)5oxopyrrolidine3carboxamide
1(34DIMETHOXYPHENETHYL)NMETHYLN(((1S9AR)OCTAHYDRO1HQUINOLIZIN1YL)METHYL)5OXOPYRROLIDINE3CARBOXAMIDE
110206751
COc1cc(CCN2C(C@H)(CC2=O)C(=O)N(C(C@@H)2CCCN3(C@@H)2CCCC3)C)ccc1OC
InChI=1SC26H39N3O4c127(17207613281254822(20)28)26(31)211625(30)29(1821)14111991023(322)24(1519)333h910152022H4811141618H213H3t2021?22+m0s1
ZINC000253398357
ZINC000257198545
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