Vitas-M small molecule compound

N-(4-methylphenyl)-2-(5-oxo-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-4-yl)acetamide

Catalog ID
STL570418
SMILES Cc1ccc(cc1)NC(=O)CC1NCCc2c(C1=O)[nH]c1c2cccc1

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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 C21H21N3O2 MW 347.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2/c1-13-6-8-14(9-7-13)23-19(25)12-18-21(26)20-16(10-11-22-18)15-4-2-3-5-17(15)24-20/h2-9,18,22,24H,10-12H2,1H3,(H,23,25)
InChIKey
JXOQKMZOOIJUFA-UHFFFAOYSA-N
Synonyms
895358-06-2
16406894
2(5oxo123456hexahydroazepino(45b)indol4yl)N(ptolyl)acetamide
895358062
Cc1ccc(cc1)NC(=O)CC1NCCc2c(C1=O)(nH)c1c2cccc1
InChI=1SC21H21N3O2c1136814(9713)2319(25)121821(26)2016(10112218)15423517(15)2420h29182224H1012H21H3(H2325)
MFCD08075611
N(4methylphenyl)2(5oxo123456hexahydroazepino(45b)indol4yl)acetamide
N(4methylphenyl)2(5oxo2346tetrahydro1Hazepino(45b)indol4yl)acetamide
ZINC000038571093
ZINC000038571094

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.