Vitas-M small molecule compound
3-(2-chlorobenzyl)-2-methyl-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL237142
SMILES Clc1ccccc1Cn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1cccc(c1)C(F)(F)F
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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 C27H17ClF3N5O MW 519.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17ClF3N5O/c1-15-32-24-22(26(37)35(15)14-16-7-2-3-10-19(16)28)23-25(34-21-12-5-4-11-20(21)33-23)36(24)18-9-6-8-17(13-18)27(29,30)31/h2-13H,14H2,1H3InChIKey
PQLSZQPVSMASDC-UHFFFAOYSA-NSynonyms
835907-39-63(2chlorobenzyl)2methyl11(3(trifluoromethyl)phenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(2chlorobenzyl)2methyl11(3(trifluoromethyl)phenyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
835907396
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC=CC(=C5)C(F)(F)F)C(=O)N1CC6=CC=CC=C6Cl
InChI=1SC27H17ClF3N5Oc115322422(26(37)35(15)14167231019(16)28)2325(342112541120(21)3323)36(24)1896817(1318)27(2930)31h213H14H21H3
MFCD03686597
ZINC000002248137
ZINC2248137
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