Vitas-M small molecule compound
ethyl 4-[3-(3-methylbutyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK990492
SMILES CCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1ncn(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 C26H25N5O3 MW 455.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O3/c1-4-34-26(33)17-9-11-18(12-10-17)31-23-21(25(32)30(15-27-23)14-13-16(2)3)22-24(31)29-20-8-6-5-7-19(20)28-22/h5-12,15-16H,4,13-14H2,1-3H3InChIKey
BLTHYVJOEMVXNB-UHFFFAOYSA-NSynonyms
842957-28-2842957282
CCOC(=O)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CCC(C)C
ethyl4(3(3methylbutyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ethyl4(3isopentyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
InChI=1SC26H25N5O3c143426(33)1791118(121017)312321(25(32)30(152723)141316(2)3)2224(31)2920865719(20)2822h5121516H41314H213H3
MFCD04162047
ZINC000002407061
ZINC02407061
ZINC2407061
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