Vitas-M small molecule compound
3-({(E)-[3-(octyloxy)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STL325273
SMILES CCCCCCCCOc1cccc(c1)/C=N/n1cnc2c(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 C25H28N4O2 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O2/c1-2-3-4-5-6-9-15-31-20-12-10-11-19(16-20)17-27-29-18-26-23-21-13-7-8-14-22(21)28-24(23)25(29)30/h7-8,10-14,16-18,28H,2-6,9,15H2,1H3/b27-17+InChIKey
INAGPIQXROLGHJ-WPWMEQJKSA-NSynonyms
371955-66-7(E)3((3(octyloxy)benzylidene)amino)3Hpyrimido(54b)indol4(5H)one
3(((E)(3(octyloxy)phenyl)methylidene)amino)35dihydro4Hpyrimido(54b)indol4one
3((E)(3OCTOXYPHENYL)METHYLIDENEAMINO)5HPYRIMIDO(54B)INDOL4ONE
371955667
CCCCCCCCOC1=CC=CC(=C1)C=NN2C=NC3=C(C2=O)NC4=CC=CC=C43
CCCCCCCCOc1cccc(c1)C=Nn1cnc2c(c1=O)(nH)c1c2cccc1
InChI=1SC25H28N4O2c123456915312012101119(1620)1727291826232113781422(21)2824(23)25(29)30h781014161828H26915H21H3b2717+
MFCD01858644
ZINC000002270068
ZINC2270067
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