Vitas-M small molecule compound
4-methyl-2-[(3-methylpiperidinium-1-yl)methyl]-6-oxo-6H-benzo[c]chromen-3-olate
Catalog ID
STK559165
SMILES CC1CCC[NH+](C1)Cc1cc2c(c(c1[O-])C)oc(=O)c1c2cccc1
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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 C21H23NO3 MW 337.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO3/c1-13-6-5-9-22(11-13)12-15-10-18-16-7-3-4-8-17(16)21(24)25-20(18)14(2)19(15)23/h3-4,7-8,10,13,23H,5-6,9,11-12H2,1-2H3InChIKey
MXUUGTAPKAJVPF-UHFFFAOYSA-NSynonyms
577983-07-43HYDROXY4METHYL2((3METHYLPIPERIDIN1YL)METHYL)BENZO(C)CHROMEN6ONE
4METHYL2((3METHYLPIPERIDIN1IUM1YL)METHYL)6OXOBENZO(C)CHROMEN3OLATE
4methyl2((3methylpiperidinium1yl)methyl)6oxo6Hbenzo(c)chromen3olate
577983074
CC1CCC(NH+)(C1)Cc1cc2c(c(c1(O))C)oc(=O)c1c2cccc1
CC1CCC(NH+)(C1)CC2=C(C(=C3C(=C2)C4=CC=CC=C4C(=O)O3)C)(O)
InChI=1SC21H23NO3c11365922(1113)1215101816734817(16)21(24)2520(18)14(2)19(15)23h3478101323H5691112H212H3
MFCD04021956
ZINC000005071561
ZINC000005071563
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