Vitas-M small molecule compound
3-[2-(4-methoxyphenyl)ethyl]-2-methyl-11-{[(E)-phenylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL234502
SMILES COc1ccc(cc1)CCn1c(C)nc2c(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 C29H24N6O2 MW 488.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N6O2/c1-19-31-27-25(29(36)34(19)17-16-20-12-14-22(37-2)15-13-20)26-28(33-24-11-7-6-10-23(24)32-26)35(27)30-18-21-8-4-3-5-9-21/h3-15,18H,16-17H2,1-2H3/b30-18+InChIKey
AWLLPPLYBGBNJA-UXHLAJHPSA-NSynonyms
877797-74-5(E)11(benzylideneamino)3(4methoxyphenethyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
3(2(4methoxyphenyl)ethyl)2methyl11(((E)phenylmethylidene)amino)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
877797745
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2N=CC5=CC=CC=C5)C(=O)N1CCC6=CC=C(C=C6)OC
COc1ccc(cc1)CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1ccccc1
InChI=1SC29H24N6O2c119312725(29(36)34(19)171620121422(372)151320)2628(332411761023(24)3226)35(27)3018218435921h31518H1617H212H3b3018+
MFCD05703399
ZINC000009345748
ZINC97497867
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