Vitas-M small molecule compound

(2Z)-2-(2-methylbenzylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK850602
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccccc1C)/C2=O

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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 C22H24N2O3 MW 364.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3/c1-15-5-3-4-6-16(15)13-20-21(26)17-7-8-19(25)18(22(17)27-20)14-24-11-9-23(2)10-12-24/h3-8,13,25H,9-12,14H2,1-2H3/b20-13-
InChIKey
CDWYPZLXWRDJDS-MOSHPQCFSA-N
Synonyms
900291-49-8
(2Z)2((2methylphenyl)methylidene)7((4methylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(2methylbenzylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2Z)6HYDROXY2((2METHYLPHENYL)METHYLIDENE)7((4METHYLPIPERAZIN1YL)METHYL)1BENZOFURAN3ONE
6HYDROXY2((2METHYLPHENYL)METHYLENE)7((4METHYLPIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
900291498
CC1=CC=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCN(CC4)C
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccccc1C)C2=O
InChI=1SC22H24N2O3c115534616(15)132021(26)177819(25)18(22(17)2720)142411923(2)101224h381325H91214H212H3b2013
MFCD06611510
ZINC000020533437
ZINC20533437

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Available files

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