Vitas-M small molecule compound
2-methyl-3-(4-methylphenyl)-11-{[(E)-(3-methylphenyl)methylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990735
SMILES Cc1ccc(cc1)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccc(c1)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 C28H22N6O MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N6O/c1-17-11-13-21(14-12-17)33-19(3)30-26-24(28(33)35)25-27(32-23-10-5-4-9-22(23)31-25)34(26)29-16-20-8-6-7-18(2)15-20/h4-16H,1-3H3/b29-16+InChIKey
WPVWCRRBDDFSPR-MUFRIFMGSA-NSynonyms
2methyl3(4methylphenyl)11(((E)(3methylphenyl)methylidene)amino)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3N=CC6=CC(=CC=C6)C)C
Cc1ccc(cc1)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1cccc(c1)C
InChI=1SC28H22N6Oc117111321(141217)3319(3)302624(28(33)35)2527(32231054922(23)3125)34(26)29162086718(2)1520h416H13H3b2916+
MFCD07801661
ZINC000008836079
ZINC102983087
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