Vitas-M small molecule compound
ethyl 4-(3-cyclopentyl-2-methyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl)benzoate
Catalog ID
STK920302
SMILES CCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C1CCCC1
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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 C27H25N5O3 MW 467.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3/c1-3-35-27(34)17-12-14-19(15-13-17)32-24-22(23-25(32)30-21-11-7-6-10-20(21)29-23)26(33)31(16(2)28-24)18-8-4-5-9-18/h6-7,10-15,18H,3-5,8-9H2,1-2H3InChIKey
AXNPXKJRJDTLFO-UHFFFAOYSA-NSynonyms
836641-77-1836641771
CCOC(=O)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)C6CCCC6
ethyl4(3cyclopentyl2methyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ethyl4(3cyclopentyl2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
InChI=1SC27H25N5O3c133527(34)17121419(151317)322422(2325(32)302111761020(21)2923)26(33)31(16(2)2824)18845918h67101518H3589H212H3
MFCD03690821
ZINC000002251886
ZINC02251886
ZINC2251886
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