Vitas-M small molecule compound

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide

Catalog ID
STL425494
SMILES CC(CC(c1nc2c([nH]1)cccc2)NC(=O)Cc1ccc2c(c1)OCCCO2)C

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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 C23H27N3O3 MW 393.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O3/c1-15(2)12-19(23-25-17-6-3-4-7-18(17)26-23)24-22(27)14-16-8-9-20-21(13-16)29-11-5-10-28-20/h3-4,6-9,13,15,19H,5,10-12,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKey
IJPXOOPEPWTLQF-UHFFFAOYSA-N
Synonyms

(S)N(1(1Hbenzo(d)imidazol2yl)3methylbutyl)2(34dihydro2Hbenzo(b)(14)dioxepin7yl)acetamide
CC(C(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)Cc1ccc2c(c1)OCCCO2)C
CC(C)CC(C1=NC2=CC=CC=C2N1)NC(=O)CC3=CC4=C(C=C3)OCCCO4
CC(CC(c1nc2c((nH)1)cccc2)NC(=O)Cc1ccc2c(c1)OCCCO2)C
InChI=1SC23H27N3O3c115(2)1219(232517634718(17)2623)2422(27)1416892021(1316)29115102820h3469131519H5101214H212H3(H2427)(H2526)
MFCD30710020
N(1(1Hbenzimidazol2yl)3methylbutyl)2(34dihydro2H15benzodioxepin7yl)acetamide
ZINC000218377417
ZINC000252536385

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Available files

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