Vitas-M small molecule compound
11-{[(E)-(3-methoxyphenyl)methylidene]amino}-2-methyl-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990737
SMILES COc1cccc(c1)/C=N/n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)CCc1ccccc1
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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 C29H24N6O2 MW 488.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N6O2/c1-19-31-27-25(29(36)34(19)16-15-20-9-4-3-5-10-20)26-28(33-24-14-7-6-13-23(24)32-26)35(27)30-18-21-11-8-12-22(17-21)37-2/h3-14,17-18H,15-16H2,1-2H3/b30-18+InChIKey
VJFSJFXKNAPJRG-UXHLAJHPSA-NSynonyms
11(((E)(3methoxyphenyl)methylidene)amino)2methyl3(2phenylethyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2N=CC5=CC(=CC=C5)OC)C(=O)N1CCC6=CC=CC=C6
COc1cccc(c1)C=Nn1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)CCc1ccccc1
InChI=1SC29H24N6O2c119312725(29(36)34(19)16152094351020)2628(332414761323(24)3226)35(27)3018211181222(1721)372h3141718H1516H212H3b3018+
MFCD07801663
ZINC000008836084
ZINC102983096
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