Vitas-M small molecule compound
3-benzyl-8-[(diethylammonio)methyl]-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STL038167
SMILES CC[NH+](Cc1c([O-])ccc2c1oc(=O)c(c2C)Cc1ccccc1)CC
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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 C22H25NO3 MW 351.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO3/c1-4-23(5-2)14-19-20(24)12-11-17-15(3)18(22(25)26-21(17)19)13-16-9-7-6-8-10-16/h6-12,24H,4-5,13-14H2,1-3H3InChIKey
RMQDPKNOQYZHAD-UHFFFAOYSA-NSynonyms
573696-13-63benzyl8((diethylammonio)methyl)4methyl2oxo2Hchromen7olate
3BENZYL8((DIETHYLAZANIUMYL)METHYL)4METHYL2OXOCHROMEN7OLATE
3BENZYL8(DIETHYLAMINOMETHYL)7HYDROXY4METHYLCHROMEN2ONE
573696136
CC(NH+)(CC)CC1=C(C=CC2=C1OC(=O)C(=C2C)CC3=CC=CC=C3)(O)
CC(NH+)(Cc1c((O))ccc2c1oc(=O)c(c2C)Cc1ccccc1)CC
InChI=1SC22H25NO3c1423(52)141920(24)12111715(3)18(22(25)2621(17)19)131697681016h61224H451314H213H3
MFCD04017718
ZINC000000646729
ZINC646729
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