Vitas-M small molecule compound

3-(3-methoxypropyl)-11-{[(E)-phenylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

Catalog ID
STL161070
SMILES COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/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 C23H20N6O2 MW 412.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N6O2/c1-31-13-7-12-28-15-24-21-19(23(28)30)20-22(27-18-11-6-5-10-17(18)26-20)29(21)25-14-16-8-3-2-4-9-16/h2-6,8-11,14-15H,7,12-13H2,1H3/b25-14+
InChIKey
YJCDOSQUVYDQSD-AFUMVMLFSA-N
Synonyms
860806-53-7
(E)11(benzylideneamino)3(3methoxypropyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
3(3methoxypropyl)11(((E)phenylmethylidene)amino)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
860806537
COCCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2N=CC5=CC=CC=C5
COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1ccccc1
InChI=1SC23H20N6O2c131137122815242119(23(28)30)2022(271811651017(18)2620)29(21)2514168324916h268111415H71213H21H3b2514+
MFCD04168458
ZINC000005180303
ZINC33513453

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Available files

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