Vitas-M small molecule compound

N-(3-methoxyphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide

Catalog ID
STL469773
SMILES COc1cccc(c1)NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1

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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 C21H21N3O3 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3/c1-27-16-7-5-6-15(13-16)22-20(25)14-9-10-17-18(12-14)23-19-8-3-2-4-11-24(19)21(17)26/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,22,25)
InChIKey
GSLHAACCOKWXEE-UHFFFAOYSA-N
Synonyms
903173-29-5
903173295
COC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3
InChI=1SC21H21N3O3c1271675615(1316)2220(25)149101718(1214)231983241124(19)21(17)26h579101213H24811H21H3(H2225)
MFCD07818719
N(3methoxyphenyl)12oxo67891012hexahydroazepino(21b)quinazoline3carboxamide
N(3methoxyphenyl)12oxo78910tetrahydro6Hazepino(21b)quinazoline3carboxamide
ZINC000006751914
ZINC06751914
ZINC6751914

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Available files

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