Vitas-M small molecule compound
ethyl 4-[2-methyl-3-(3-methylbutyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK990526
SMILES CCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)CCC(C)C
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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/c1-5-35-27(34)18-10-12-19(13-11-18)32-24-22(26(33)31(17(4)28-24)15-14-16(2)3)23-25(32)30-21-9-7-6-8-20(21)29-23/h6-13,16H,5,14-15H2,1-4H3InChIKey
SZQWCKUZGRKTFV-UHFFFAOYSA-NSynonyms
848223-05-2848223052
CCOC(=O)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)CCC(C)C
ethyl4(2methyl3(3methylbutyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ethyl4(3isopentyl2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
InChI=1SC27H27N5O3c153527(34)18101219(131118)322422(26(33)31(17(4)2824)151416(2)3)2325(32)3021976820(21)2923h61316H51415H214H3
MFCD04190051
ZINC000002425572
ZINC02425572
ZINC2425572
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