Vitas-M small molecule compound

3-{[(1E,2Z)-2-benzylideneheptylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione

Catalog ID
STK527843
SMILES CCCCC/C(=C/c1ccccc1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)OC

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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 C25H26N4O3 MW 430.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3/c1-3-4-6-11-18(14-17-9-7-5-8-10-17)16-26-29-24(30)23-22(28-25(29)31)20-15-19(32-2)12-13-21(20)27-23/h5,7-10,12-16,27H,3-4,6,11H2,1-2H3,(H,28,31)/b18-14-,26-16+
InChIKey
NHDIHNHRYHQRHE-LZLXZGHVSA-N
Synonyms
373610-72-1
3(((1E2Z)2benzylideneheptylidene)amino)8methoxy1Hpyrimido(54b)indole24(3H5H)dione
3((E)((2Z)2BENZYLIDENEHEPTYLIDENE)AMINO)8METHOXY15DIHYDROPYRIMIDO(54B)INDOLE24DIONE
3((E)((Z)2benzylideneheptylidene)amino)8methoxy1Hpyrimido(54b)indole24(3H5H)dione
373610721
CCCCCC(=CC1=CC=CC=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=O
CCCCCC(=Cc1ccccc1)C=Nn1c(=O)(nH)c2c(c1=O)(nH)c1c2cc(cc1)OC
InChI=1SC25H26N4O3c13461118(141797581017)16262924(30)2322(2825(29)31)201519(322)121321(20)2723h5710121627H34611H212H3(H2831)b18142616+
MFCD01947710
ZINC000002281019
ZINC2281017

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Available files

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