Vitas-M small molecule compound

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

Catalog ID
STK832788
SMILES COc1ccc(cc1)C(=O)Cn1cnc2c(c1=O)n1CCCCCc1c2C#N

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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 C21H20N4O3 MW 376.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3/c1-28-15-8-6-14(7-9-15)18(26)12-24-13-23-19-16(11-22)17-5-3-2-4-10-25(17)20(19)21(24)27/h6-9,13H,2-5,10,12H2,1H3
InChIKey
DHOFMSLXURSNAL-UHFFFAOYSA-N
Synonyms
300394-00-7
3(2(4methoxyphenyl)2oxoethyl)4oxo4678910hexahydro3Hpyrimido(4545)pyrrolo(12a)azepine11carbonitrile
3(2(4methoxyphenyl)2oxoethyl)4oxo78910tetrahydro6Hpyrimido(34)pyrrolo(35a)azepine11carbonitrile
300394007
COC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)N4CCCCCC4=C3C#N
InChI=1SC21H20N4O3c128158614(7915)18(26)122413231916(1122)1753241025(17)20(19)21(24)27h6913H251012H21H3
MFCD01241986
ZINC000001195129
ZINC01195129
ZINC1195129

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Available files

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