Vitas-M small molecule compound

ethyl 4-(3-nitrophenyl)-6-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]-1,4,5,6-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK623631
SMILES CCOC(=O)C1C(=O)NC(=NC1c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1ncccn1

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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 C21H23N7O5 MW 453.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N7O5/c1-2-33-19(30)16-17(14-5-3-6-15(13-14)28(31)32)24-21(25-18(16)29)27-11-9-26(10-12-27)20-22-7-4-8-23-20/h3-8,13,16-17H,2,9-12H2,1H3,(H,24,25,29)
InChIKey
FZKSGYLMZWDFJM-UHFFFAOYSA-N
Synonyms
908497-57-4
CCOC(=O)C1C(=O)NC(=NC1c1cccc(c1)(N+)(=O)(O))N1CCN(CC1)c1ncccn1
ethyl4(3nitrophenyl)6oxo2(4(pyrimidin2yl)piperazin1yl)1456tetrahydropyrimidine5carboxylate
ETHYL4(3NITROPHENYL)6OXO2(4PYRIMIDIN2YLPIPERAZINYL)345TRIHYDROPYRIMIDINE5CARBOXYLATE
MFCD09792477
ZINC000018077731

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Available files

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