Vitas-M small molecule compound
3-(butan-2-yl)-11-(2-chlorobenzyl)-2-ethyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990693
SMILES CCC(n1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl)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 C25H24ClN5O MW 445.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN5O/c1-4-15(3)31-20(5-2)29-23-21(25(31)32)22-24(28-19-13-9-8-12-18(19)27-22)30(23)14-16-10-6-7-11-17(16)26/h6-13,15H,4-5,14H2,1-3H3InChIKey
JXPUIZYQEBEVHU-UHFFFAOYSA-NSynonyms
3(butan2yl)11(2chlorobenzyl)2ethyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC=CC=C5Cl)C(=O)N1C(C)CC
InChI=1SC25H24ClN5Oc1415(3)3120(52)292321(25(31)32)2224(281913981218(19)2722)30(23)141610671117(16)26h61315H4514H213H3
MFCD07801633
ZINC000008836059
ZINC000008836060
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