Vitas-M small molecule compound
3-(4-chlorobenzyl)-11-(4-ethylphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL225869
SMILES CCc1ccc(cc1)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)Cc1ccc(cc1)Cl
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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 C28H22ClN5O MW 479.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN5O/c1-3-18-10-14-21(15-11-18)34-26-24(25-27(34)32-23-7-5-4-6-22(23)31-25)28(35)33(17(2)30-26)16-19-8-12-20(29)13-9-19/h4-15H,3,16H2,1-2H3InChIKey
QJHGLTMGHRYWAQ-UHFFFAOYSA-NSynonyms
840461-26-93(4chlorobenzyl)11(4ethylphenyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(4chlorobenzyl)11(4ethylphenyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
840461269
CCC1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)CC6=CC=C(C=C6)Cl
InChI=1SC28H22ClN5Oc1318101421(151118)342624(2527(34)3223754622(23)3125)28(35)33(17(2)3026)161981220(29)13919h415H316H212H3
MFCD03695262
ZINC000002258048
ZINC02258048
ZINC2258048
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