Vitas-M small molecule compound
3-(2-methoxyphenyl)-2-methyl-8-[(2-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Catalog ID
STK564369
SMILES COc1ccccc1c1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCCCC1C)[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 C24H27NO4 MW 393.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO4/c1-15-8-6-7-13-25(15)14-19-20(26)12-11-18-23(27)22(16(2)29-24(18)19)17-9-4-5-10-21(17)28-3/h4-5,9-12,15,26H,6-8,13-14H2,1-3H3InChIKey
LEXIIBMSVNOCIL-UHFFFAOYSA-NSynonyms
610759-73-43(2methoxyphenyl)2methyl8((2methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
CC1CCCC(NH+)1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4OC)C)(O)
COc1ccccc1c1c(C)oc2c(c1=O)ccc(c2C(NH+)1CCCCC1C)(O)
InChI=1SC24H27NO4c1158671325(15)141920(26)12111823(27)22(16(2)2924(18)19)179451021(17)283h459121526H681314H213H3
MFCD03719821
ZINC000003653125
ZINC000003653128
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