Vitas-M small molecule compound

3-(2-chlorobenzyl)-11-(3,5-dimethoxyphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

Catalog ID
STL225819
SMILES COc1cc(OC)cc(c1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)Cc1ccccc1Cl

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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 C27H20ClN5O3 MW 497.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN5O3/c1-35-18-11-17(12-19(13-18)36-2)33-25-23(24-26(33)31-22-10-6-5-9-21(22)30-24)27(34)32(15-29-25)14-16-7-3-4-8-20(16)28/h3-13,15H,14H2,1-2H3
InChIKey
MASAYFQGIQPTPT-UHFFFAOYSA-N
Synonyms
836643-07-3
3(2chlorobenzyl)11(35dimethoxyphenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(2chlorobenzyl)11(35dimethoxyphenyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
836643073
COC1=CC(=CC(=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC6=CC=CC=C6Cl)OC
InChI=1SC27H20ClN5O3c135181117(1219(1318)362)332523(2426(33)31221065921(22)3024)27(34)32(152925)1416734820(16)28h31315H14H212H3
MFCD03691125
ZINC000002252852
ZINC02252852
ZINC2252852

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Available files

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