Vitas-M small molecule compound
3-{[3-(2-chlorobenzyl)-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl]methyl}benzonitrile
Catalog ID
STL184096
SMILES N#Cc1cccc(c1)Cn1c2ccc(cc2c2c1c(=O)n(cn2)Cc1ccccc1Cl)F
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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 C25H16ClFN4O MW 442.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16ClFN4O/c26-21-7-2-1-6-18(21)14-30-15-29-23-20-11-19(27)8-9-22(20)31(24(23)25(30)32)13-17-5-3-4-16(10-17)12-28/h1-11,15H,13-14H2InChIKey
PIPHGGVWHBEKPJ-UHFFFAOYSA-NSynonyms
3((3((2chlorophenyl)methyl)8fluoro4oxopyrimido(54b)indol5yl)methyl)benzonitrile
3((3(2chlorobenzyl)8fluoro4oxo34dihydro5Hpyrimido(54b)indol5yl)methyl)benzonitrile
C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)N(C4=C3C=C(C=C4)F)CC5=CC=CC(=C5)C#N)Cl
InChI=1SC25H16ClFN4Oc2621721618(21)1430152923201119(27)8922(20)31(24(23)25(30)32)131753416(1017)1228h11115H1314H2
MFCD22386238
ZINC000072328621
ZINC72328621
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