Vitas-M small molecule compound
4-methylbenzyl 2-ethoxy-4-oxo-4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxylate
Catalog ID
STL135680
SMILES CCOc1cc(=O)n2c(c1C(=O)OCc1ccc(cc1)C)CCCCC2
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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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-3-25-18-13-19(23)22-12-6-4-5-7-17(22)20(18)21(24)26-14-16-10-8-15(2)9-11-16/h8-11,13H,3-7,12,14H2,1-2H3InChIKey
XTNCUWILSJLHIR-UHFFFAOYSA-NSynonyms
1326942-41-9(4methylphenyl)methyl2ethoxy4oxo78910tetrahydro6Hpyrido(12a)azepine1carboxylate
1326942419
4methylbenzyl2ethoxy4oxo4678910hexahydropyrido(12a)azepine1carboxylate
CCOC1=CC(=O)N2CCCCCC2=C1C(=O)OCC3=CC=C(C=C3)C
InChI=1SC21H25NO4c1325181319(23)2212645717(22)20(18)21(24)26141610815(2)91116h81113H371214H212H3
MFCD20754509
ZINC000065254923
ZINC65254923
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