Vitas-M small molecule compound

7-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-2H-chromen-6-olate

Catalog ID
STK575110
SMILES CN1CC[NH+](CC1)Cc1cc(=O)oc2c1cc([O-])c(c2)C

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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 C16H20N2O3 MW 288.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O3/c1-11-7-15-13(9-14(11)19)12(8-16(20)21-15)10-18-5-3-17(2)4-6-18/h7-9,19H,3-6,10H2,1-2H3
InChIKey
IEGHGSHWFWPUAB-UHFFFAOYSA-N
Synonyms
896821-59-3
6HYDROXY7METHYL4((4METHYLPIPERAZIN1YL)METHYL)CHROMEN2ONE
6HYDROXY7METHYL4((4METHYLPIPERAZINYL)METHYL)CHROMEN2ONE
7methyl4((4methylpiperazin1ium1yl)methyl)2oxo2Hchromen6olate
7methyl4((4methylpiperazin1ium1yl)methyl)2oxochromen6olate
CC1=C(C=C2C(=CC(=O)OC2=C1)C(NH+)3CCN(CC3)C)(O)
CN1CC(NH+)(CC1)Cc1cc(=O)oc2c1cc((O))c(c2)C
InChI=1SC16H20N2O3c11171513(914(11)19)12(816(20)2115)10185317(2)4618h7919H3610H212H3
MFCD06598116
ZINC000019371213
ZINC19371213

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Available files

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