Vitas-M small molecule compound

ethyl 4-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-3-yl)carbonyl]piperazine-1-carboxylate

Catalog ID
STL178930
SMILES CCOC(=O)N1CCN(CC1)C(=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 C21H26N4O4 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4/c1-2-29-21(28)24-12-10-23(11-13-24)19(26)15-7-8-16-17(14-15)22-18-6-4-3-5-9-25(18)20(16)27/h7-8,14H,2-6,9-13H2,1H3
InChIKey
MGVKTVBOXBTWNI-UHFFFAOYSA-N
Synonyms
903174-83-4
903174834
CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3
ethyl4((12oxo67891012hexahydroazepino(21b)quinazolin3yl)carbonyl)piperazine1carboxylate
ethyl4(12oxo78910tetrahydro6Hazepino(21b)quinazoline3carbonyl)piperazine1carboxylate
InChI=1SC21H26N4O4c122921(28)24121023(111324)19(26)15781617(1415)22186435925(18)20(16)27h7814H26913H21H3
MFCD08555422
ZINC000004034413
ZINC04034413
ZINC4034413

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Available files

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