Vitas-M small molecule compound

3-{[(1E,2E)-2-benzylideneheptylidene]amino}-2-hydroxy-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

Catalog ID
STK570942
SMILES CCCCC/C(=C\c1ccccc1)/C=N/n1c(O)nc2c(c1=O)[nH]c1c2cc(cc1)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 C25H26N4O2 MW 414.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O2/c1-3-4-6-11-19(15-18-9-7-5-8-10-18)16-26-29-24(30)23-22(28-25(29)31)20-14-17(2)12-13-21(20)27-23/h5,7-10,12-16,27H,3-4,6,11H2,1-2H3,(H,28,31)/b19-15+,26-16+
InChIKey
IVQKEDUKRIBWSO-JODQWXPZSA-N
Synonyms

3(((1E2E)2benzylideneheptylidene)amino)2hydroxy8methyl35dihydro4Hpyrimido(54b)indol4one
3((E)((2E)2BENZYLIDENEHEPTYLIDENE)AMINO)8METHYL15DIHYDROPYRIMIDO(54B)INDOLE24DIONE
CCCCCC(=CC1=CC=CC=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)C)NC2=O
CCCCCC(=Cc1ccccc1)C=Nn1c(O)nc2c(c1=O)(nH)c1c2cc(cc1)C
InChI=1SC25H26N4O2c13461119(151897581018)16262924(30)2322(2825(29)31)201417(2)121321(20)2723h5710121627H34611H212H3(H2831)b1915+2616+
MFCD07207597
ZINC000009011744
ZINC102564905

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Available files

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