Vitas-M small molecule compound
ethyl 4-(4-{(2-methoxyethyl)[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]carbamoyl}-2-oxopyrrolidin-1-yl)benzoate
Catalog ID
STL546770
SMILES COCCN(C(=O)C1CC(=O)N(C1)c1ccc(cc1)C(=O)OCC)C[C@@H]1CCCN2[C@@H]1CCCC2
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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 C27H39N3O5 MW 485.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39N3O5/c1-3-35-27(33)20-9-11-23(12-10-20)30-19-22(17-25(30)31)26(32)29(15-16-34-2)18-21-7-6-14-28-13-5-4-8-24(21)28/h9-12,21-22,24H,3-8,13-19H2,1-2H3/t21-,22?,24+/m0/s1InChIKey
ULLLDNGZZNDCTG-RRUPDEEPSA-NSynonyms
121541740
COCCN(C(=O)C1CC(=O)N(C1)c1ccc(cc1)C(=O)OCC)C(C@@H)1CCCN2(C@@H)1CCCC2
ethyl4(4(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl(2methoxyethyl)carbamoyl)2oxopyrrolidin1yl)benzoate
ETHYL4(4((2METHOXYETHYL)(((1S9AR)OCTAHYDRO1HQUINOLIZIN1YL)METHYL)CARBAMOYL)2OXOPYRROLIDIN1YL)BENZOATE
ethyl4(4((2methoxyethyl)((1S9aR)octahydro2Hquinolizin1ylmethyl)carbamoyl)2oxopyrrolidin1yl)benzoate
InChI=1SC27H39N3O5c133527(33)2091123(121020)301922(1725(30)31)26(32)29(1516342)18217614281354824(21)28h912212224H381319H212H3t2122?24+m0s1
ZINC000263586432
ZINC000263586433
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