Vitas-M small molecule compound

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

Catalog ID
STK990416
SMILES CCc1cccc(c1)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)Cc1ccc(cc1)Cl

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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 C28H22ClN5O MW 479.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN5O/c1-3-18-7-6-8-21(15-18)34-26-24(25-27(34)32-23-10-5-4-9-22(23)31-25)28(35)33(17(2)30-26)16-19-11-13-20(29)14-12-19/h4-15H,3,16H2,1-2H3
InChIKey
KPCDZEPAJWVYBT-UHFFFAOYSA-N
Synonyms
836651-33-3
3(4chlorobenzyl)11(3ethylphenyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(4chlorobenzyl)11(3ethylphenyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
836651333
CCC1=CC(=CC=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)CC6=CC=C(C=C6)Cl
InChI=1SC28H22ClN5Oc131876821(1518)342624(2527(34)32231054922(23)3125)28(35)33(17(2)3026)1619111320(29)141219h415H316H212H3
MFCD03692299
ZINC000002253949
ZINC02253949
ZINC2253949

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Available files

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