Vitas-M small molecule compound
methyl 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
STK990490
SMILES COC(=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 C25H23N5O3 MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3/c1-15(2)12-13-29-14-26-22-20(24(29)31)21-23(28-19-7-5-4-6-18(19)27-21)30(22)17-10-8-16(9-11-17)25(32)33-3/h4-11,14-15H,12-13H2,1-3H3InChIKey
NDPLHLJYRQREOA-UHFFFAOYSA-NSynonyms
846590-96-3846590963
CC(C)CCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OC
InChI=1SC25H23N5O3c115(2)12132914262220(24(29)31)2123(2819754618(19)2721)30(22)1710816(91117)25(32)333h4111415H1213H213H3
methyl4(3(3methylbutyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
methyl4(3isopentyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
MFCD04175852
ZINC000008871124
ZINC08871124
ZINC8871124
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