Vitas-M small molecule compound
3-[2-(4-methoxyphenyl)ethyl]-11-{[(E)-phenylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL236797
SMILES COc1ccc(cc1)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccccc1
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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 C28H22N6O2 MW 474.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N6O2/c1-36-21-13-11-19(12-14-21)15-16-33-18-29-26-24(28(33)35)25-27(32-23-10-6-5-9-22(23)31-25)34(26)30-17-20-7-3-2-4-8-20/h2-14,17-18H,15-16H2,1H3/b30-17+InChIKey
BSRREWJFQOMLEX-OCSSWDANSA-NSynonyms
843668-43-9(E)11(benzylideneamino)3(4methoxyphenethyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
3(2(4methoxyphenyl)ethyl)11(((E)phenylmethylidene)amino)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
843668439
COC1=CC=C(C=C1)CCN2C=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3N=CC6=CC=CC=C6
COc1ccc(cc1)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1ccccc1
InChI=1SC28H22N6O2c13621131119(121421)15163318292624(28(33)35)2527(32231065922(23)3125)34(26)3017207324820h2141718H1516H21H3b3017+
MFCD04162736
ZINC000002407626
ZINC33365772
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