Vitas-M small molecule compound
3-{[(1E,2E)-2-benzylideneheptylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STL333469
SMILES CCCCC/C(=C\c1ccccc1)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cccc1
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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 C25H26N4O MW 398.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O/c1-3-4-6-13-20(16-19-11-7-5-8-12-19)17-26-29-18(2)27-23-21-14-9-10-15-22(21)28-24(23)25(29)30/h5,7-12,14-17,28H,3-4,6,13H2,1-2H3/b20-16+,26-17+InChIKey
VEGWYOIRUFWOTK-SFHXXFADSA-NSynonyms
488102-54-13(((1E2E)2benzylideneheptylidene)amino)2methyl35dihydro4Hpyrimido(54b)indol4one
3((E)((2E)2BENZYLIDENEHEPTYLIDENE)AMINO)2METHYL5HPYRIMIDO(54B)INDOL4ONE
3((E)((E)2benzylideneheptylidene)amino)2methyl3Hpyrimido(54b)indol4(5H)one
488102541
CCCCCC(=CC1=CC=CC=C1)C=NN2C(=NC3=C(C2=O)NC4=CC=CC=C43)C
CCCCCC(=Cc1ccccc1)C=Nn1c(C)nc2c(c1=O)(nH)c1c2cccc1
InChI=1SC25H26N4Oc13461320(1619117581219)17262918(2)272321149101522(21)2824(23)25(29)30h5712141728H34613H212H3b2016+2617+
MFCD03288670
ZINC000004898866
ZINC34098045
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