Vitas-M small molecule compound
ethyl 3-(3-hexyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl)benzoate
Catalog ID
STK990634
SMILES CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1cccc(c1)C(=O)OCC
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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 C27H27N5O3 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3/c1-3-5-6-9-15-31-17-28-24-22(26(31)33)23-25(30-21-14-8-7-13-20(21)29-23)32(24)19-12-10-11-18(16-19)27(34)35-4-2/h7-8,10-14,16-17H,3-6,9,15H2,1-2H3InChIKey
CPFDGIJXDKLYEX-UHFFFAOYSA-NSynonyms
844451-11-2844451112
CCCCCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=CC(=C5)C(=O)OCC
ethyl3(3hexyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ethyl3(3hexyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
InChI=1SC27H27N5O3c13569153117282422(26(31)33)2325(302114871320(21)2923)32(24)1912101118(1619)27(34)3542h7810141617H36915H212H3
MFCD04156575
ZINC000002401758
ZINC02401758
ZINC2401758
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