Vitas-M small molecule compound
2-[(2-ethylpiperidinium-1-yl)methyl]-4-methyl-6-oxo-6H-benzo[c]chromen-3-olate
Catalog ID
STL043890
SMILES CCC1CCCC[NH+]1Cc1cc2c(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 C22H25NO3 MW 351.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO3/c1-3-16-8-6-7-11-23(16)13-15-12-19-17-9-4-5-10-18(17)22(25)26-21(19)14(2)20(15)24/h4-5,9-10,12,16,24H,3,6-8,11,13H2,1-2H3InChIKey
JNBMDXZIVGEYAQ-UHFFFAOYSA-NSynonyms
843629-13-02((2ETHYLPIPERIDIN1IUM1YL)METHYL)4METHYL6OXOBENZO(C)CHROMEN3OLATE
2((2ETHYLPIPERIDIN1YL)METHYL)3HYDROXY4METHYLBENZO(C)CHROMEN6ONE
2((2ethylpiperidinium1yl)methyl)4methyl6oxo6Hbenzo(c)chromen3olate
843629130
CCC1CCCC(NH+)1Cc1cc2c(c(c1(O))C)oc(=O)c1c2cccc1
CCC1CCCC(NH+)1CC2=C(C(=C3C(=C2)C4=CC=CC=C4C(=O)O3)C)(O)
InChI=1SC22H25NO3c13168671123(16)13151219179451018(17)22(25)2621(19)14(2)20(15)24h45910121624H3681113H212H3
MFCD04016857
ZINC000005047124
ZINC000005047125
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