Vitas-M small molecule compound

4-oxo-3-(2-oxo-2-phenylethyl)-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile

Catalog ID
STL322038
SMILES N#Cc1c2ncn(c(=O)c2n2c1CCCCC2)CC(=O)c1ccccc1

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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 C20H18N4O2 MW 346.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2/c21-11-15-16-9-5-2-6-10-24(16)19-18(15)22-13-23(20(19)26)12-17(25)14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-10,12H2
InChIKey
KPLAYWHCOFLMBC-UHFFFAOYSA-N
Synonyms
304869-03-2
304869032
4oxo3(2oxo2phenylethyl)4678910hexahydro3Hpyrimido(4545)pyrrolo(12a)azepine11carbonitrile
4oxo3phenacyl78910tetrahydro6Hpyrimido(34)pyrrolo(35a)azepine11carbonitrile
C1CCC2=C(C3=C(N2CC1)C(=O)N(C=N3)CC(=O)C4=CC=CC=C4)C#N
InChI=1SC20H18N4O2c2111151695261024(16)1918(15)221323(20(19)26)1217(25)147314814h1347813H25691012H2
MFCD00564069
ZINC000000494311
ZINC00494311
ZINC494311

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Available files

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