Vitas-M small molecule compound

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

Catalog ID
STK849807
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)C)/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/c1-15-4-3-5-16(12-15)13-20-21(26)17-6-7-19(25)18(22(17)27-20)14-24-10-8-23(2)9-11-24/h3-7,12-13,25H,8-11,14H2,1-2H3/b20-13-
InChIKey
GTQRITVKASDCSA-MOSHPQCFSA-N
Synonyms
896072-69-8
(2Z)2(3methylbenzylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2Z)6HYDROXY2((3METHYLPHENYL)METHYLIDENE)7((4METHYLPIPERAZIN1YL)METHYL)1BENZOFURAN3ONE
6HYDROXY2((3METHYLPHENYL)METHYLENE)7((4METHYLPIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
896072698
CC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)C
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cccc(c1)C)C2=O
InChI=1SC22H24N2O3c11543516(1215)132021(26)176719(25)18(22(17)2720)142410823(2)91124h37121325H81114H212H3b2013
MFCD06592366
ZINC000020503483
ZINC20503483

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Available files

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