Vitas-M small molecule compound
8-{[benzyl(methyl)ammonio]methyl}-3-(3-methoxyphenoxy)-4-oxo-4H-chromen-7-olate
Catalog ID
STK586156
SMILES COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2C[NH+](Cc1ccccc1)C)[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 C25H23NO5 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO5/c1-26(14-17-7-4-3-5-8-17)15-21-22(27)12-11-20-24(28)23(16-30-25(20)21)31-19-10-6-9-18(13-19)29-2/h3-13,16,27H,14-15H2,1-2H3InChIKey
NXINKOCPXNKNDJ-UHFFFAOYSA-NSynonyms
846030-85-18((BENZYL(METHYL)AMINO)METHYL)7HYDROXY3(3METHOXYPHENOXY)CHROMEN4ONE
8((benzyl(methyl)ammonio)methyl)3(3methoxyphenoxy)4oxo4Hchromen7olate
8((benzyl(methyl)azaniumyl)methyl)3(3methoxyphenoxy)4oxochromen7olate
846030851
C(NH+)(CC1=CC=CC=C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC(=CC=C4)OC)(O)
COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2C(NH+)(Cc1ccccc1)C)(O)
InChI=1SC25H23NO5c126(14177435817)152122(27)12112024(28)23(163025(20)21)3119106918(1319)292h3131627H1415H212H3
MFCD04172651
ZINC000020503649
ZINC20503649
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