Vitas-M small molecule compound
3-(1H-benzimidazol-2-yl)-6-ethyl-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Catalog ID
STL147444
SMILES CCc1cc2c(c(c1[O-])C[NH+]1CCCC(C1)C)occ(c2=O)c1nc2c([nH]1)cccc2
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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 C25H27N3O3 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3/c1-3-16-11-17-23(30)19(25-26-20-8-4-5-9-21(20)27-25)14-31-24(17)18(22(16)29)13-28-10-6-7-15(2)12-28/h4-5,8-9,11,14-15,29H,3,6-7,10,12-13H2,1-2H3,(H,26,27)InChIKey
IZHHXDOFPJSZLO-UHFFFAOYSA-NSynonyms
610759-65-43(1HBENZIMIDAZOL2YL)6ETHYL7HYDROXY8((3METHYLPIPERIDIN1YL)METHYL)CHROMEN4ONE
3(1HBENZIMIDAZOL2YL)6ETHYL8((3METHYLPIPERIDIN1IUM1YL)METHYL)4OXOCHROMEN7OLATE
3(1Hbenzimidazol2yl)6ethyl8((3methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
3(1HBENZO(D)IMIDAZOL2YL)6ETHYL7HYDROXY8((3METHYLPIPERIDIN1YL)METHYL)4HCHROMEN4ONE
3BENZIMIDAZOL2YL6ETHYL7HYDROXY8((3METHYLPIPERIDYL)METHYL)CHROMEN4ONE
610759654
CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C(NH+)5CCCC(C5)C)(O)
CCc1cc2c(c(c1(O))C(NH+)1CCCC(C1)C)occ(c2=O)c1nc2c((nH)1)cccc2
InChI=1SC25H27N3O3c1316111723(30)19(252620845921(20)2725)143124(17)18(22(16)29)1328106715(2)1228h458911141529H367101213H212H3(H2627)
MFCD03672730
ZINC000001308552
ZINC000001308554
Check stock
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Check stock on Vitas-MAvailable files
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