Vitas-M small molecule compound
3-[(4-methoxyphenyl)carbonyl]-4-{[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl}-1-benzofuran-5-olate
Catalog ID
STL491333
SMILES COc1ccc(cc1)C(=O)c1coc2c1c(C[NH+]1CCN(CC1)C(=O)c1ccccc1)c(cc2)[O-]
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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 C28H26N2O5 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5/c1-34-21-9-7-19(8-10-21)27(32)23-18-35-25-12-11-24(31)22(26(23)25)17-29-13-15-30(16-14-29)28(33)20-5-3-2-4-6-20/h2-12,18,31H,13-17H2,1H3InChIKey
VPPHUBBBIIVVQZ-UHFFFAOYSA-NSynonyms
1676085-27-0(4((4benzoylpiperazin1yl)methyl)5hydroxy1benzofuran3yl)(4methoxyphenyl)methanone
(4((5HYDROXY3((4METHOXYPHENYL)CARBONYL)1BENZOFURAN4YL)METHYL)PIPERAZIN1YL)(PHENYL)METHANONE
3((4methoxyphenyl)carbonyl)4((4(phenylcarbonyl)piperazin1ium1yl)methyl)1benzofuran5olate
COC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN4CCN(CC4)C(=O)C5=CC=CC=C5
COc1ccc(cc1)C(=O)c1coc2c1c(C(NH+)1CCN(CC1)C(=O)c1ccccc1)c(cc2)(O)
InChI=1SC28H26N2O5c134219719(81021)27(32)23183525121124(31)22(26(23)25)1729131530(161429)28(33)205324620h2121831H1317H21H3
ZINC218465740
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