Vitas-M small molecule compound
3-(phenylcarbonyl)-4-{[4-(pyrazin-2-yl)piperazin-1-ium-1-yl]methyl}-1-benzofuran-5-olate
Catalog ID
STL493796
SMILES [O-]c1ccc2c(c1C[NH+]1CCN(CC1)c1cnccn1)c(co2)C(=O)c1ccccc1
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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 C24H22N4O3 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3/c29-20-6-7-21-23(19(16-31-21)24(30)17-4-2-1-3-5-17)18(20)15-27-10-12-28(13-11-27)22-14-25-8-9-26-22/h1-9,14,16,29H,10-13,15H2InChIKey
HPMKCPFSCMYRLP-UHFFFAOYSA-NSynonyms
(5hydroxy4((4pyrazin2ylpiperazin1yl)methyl)1benzofuran3yl)phenylmethanone
(O)c1ccc2c(c1C(NH+)1CCN(CC1)c1cnccn1)c(co2)C(=O)c1ccccc1
3(phenylcarbonyl)4((4(pyrazin2yl)piperazin1ium1yl)methyl)1benzofuran5olate
C1CN(CCN1CC2=C(C=CC3=C2C(=CO3)C(=O)C4=CC=CC=C4)O)C5=NC=CN=C5
InChI=1SC24H22N4O3c2920672123(19(163121)24(30)174213517)18(20)1527101228(131127)221425892622h19141629H101315H2
MFCD29058081
ZINC000253404021
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