Vitas-M small molecule compound
(2Z)-2-(furan-2-ylmethylidene)-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855536
SMILES CN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1ccco1)/C2=O)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 C20H22N2O4 MW 354.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4/c1-13-10-16(23)15(12-22-7-5-21(2)6-8-22)20-18(13)19(24)17(26-20)11-14-4-3-9-25-14/h3-4,9-11,23H,5-8,12H2,1-2H3/b17-11-InChIKey
PIQMOURCPMZSBS-BOPFTXTBSA-NSynonyms
903184-40-7(2Z)2(furan2ylmethylidene)4methyl7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
903184407
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CO3)O2)CN4CCN(CC4)C)O
CN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1ccco1)C2=O)C
InChI=1SC20H22N2O4c1131016(23)15(12227521(2)6822)2018(13)19(24)17(2620)11144392514h3491123H5812H212H3b1711
MFCD08286450
ZINC000020573418
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