Vitas-M small molecule compound

11-(3-chloro-4-methoxyphenyl)-3-cyclohexyl-2-ethyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

Catalog ID
STK551364
SMILES COc1ccc(cc1Cl)n1c2nc(CC)n(c(=O)c2c2c1nc1ccccc1n2)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 C27H26ClN5O2 MW 487.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN5O2/c1-3-22-31-25-23(27(34)32(22)16-9-5-4-6-10-16)24-26(30-20-12-8-7-11-19(20)29-24)33(25)17-13-14-21(35-2)18(28)15-17/h7-8,11-16H,3-6,9-10H2,1-2H3
InChIKey
BXWMSJNXNCNGMU-UHFFFAOYSA-N
Synonyms
799781-50-3
11(3chloro4methoxyphenyl)3cyclohexyl2ethyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(3chloro4methoxyphenyl)3cyclohexyl2ethyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
799781503
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)OC)Cl)C(=O)N1C6CCCCC6
InChI=1SC27H26ClN5O2c1322312523(27(34)32(22)1695461016)2426(302012871119(20)2924)33(25)17131421(352)18(28)1517h781116H36910H212H3
MFCD03674258
ZINC000002212291
ZINC02212291
ZINC2212291

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Available files

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