Vitas-M small molecule compound
2-methyl-3-(4-methylbenzyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990408
SMILES Cc1ccc(cc1)Cn1c(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 C28H20F3N5O MW 499.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20F3N5O/c1-16-10-12-18(13-11-16)15-35-17(2)32-25-23(27(35)37)24-26(34-22-9-4-3-8-21(22)33-24)36(25)20-7-5-6-19(14-20)28(29,30)31/h3-14H,15H2,1-2H3InChIKey
UATFHKKGANKVGF-UHFFFAOYSA-NSynonyms
836630-60-52methyl3(4methylbenzyl)11(3(trifluoromethyl)phenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
2methyl3(4methylbenzyl)11(3(trifluoromethyl)phenyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
836630605
CC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3C6=CC=CC(=C6)C(F)(F)F)C
InChI=1SC28H20F3N5Oc116101218(131116)153517(2)322523(27(35)37)2426(3422943821(22)3324)36(25)2075619(1420)28(2930)31h314H15H212H3
MFCD03688735
ZINC000002251101
ZINC02251101
ZINC2251101
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