Vitas-M small molecule compound

2-[4-(4-benzylpiperazin-4-ium-1-yl)quinazolin-2-yl]-6-methoxyphenolate

Catalog ID
STK565727
SMILES COc1cccc(c1[O-])c1nc(N2CC[NH+](CC2)Cc2ccccc2)c2c(n1)cccc2

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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 C26H26N4O2 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2/c1-32-23-13-7-11-21(24(23)31)25-27-22-12-6-5-10-20(22)26(28-25)30-16-14-29(15-17-30)18-19-8-3-2-4-9-19/h2-13,31H,14-18H2,1H3
InChIKey
BVSWXCCGGDFPOR-UHFFFAOYSA-N
Synonyms
799780-30-6
2(4(4benzylpiperazin4ium1yl)quinazolin2yl)6methoxyphenolate
799780306
COC1=CC=CC(=C1(O))C2=NC3=CC=CC=C3C(=N2)N4CC(NH+)(CC4)CC5=CC=CC=C5
COc1cccc(c1(O))c1nc(N2CC(NH+)(CC2)Cc2ccccc2)c2c(n1)cccc2
InChI=1SC26H26N4O2c132231371121(24(23)31)25272212651020(22)26(2825)30161429(151730)18198324919h21331H1418H21H3
MFCD03673905
ZINC000001297627

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Available files

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