Vitas-M small molecule compound

(2Z)-2-benzylidene-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK603160
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1ccccc1)/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 C23H26N2O4 MW 394.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O4/c1-16-13-19(27)18(15-25-9-7-24(8-10-25)11-12-26)23-21(16)22(28)20(29-23)14-17-5-3-2-4-6-17/h2-6,13-14,26-27H,7-12,15H2,1H3/b20-14-
InChIKey
IMGYAMRTFQZNPD-ZHZULCJRSA-N
Synonyms
903861-14-3
(2Z)2BENZYLIDENE6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)4METHYL1BENZOFURAN3ONE
(2Z)2benzylidene7((4(2hydroxyethyl)piperazin1ium1yl)methyl)4methyl3oxo23dihydro1benzofuran6olate
6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)4METHYL2(PHENYLMETHYLENE)BENZO(B)FURAN3ONE
MFCD08292215
OCCN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1ccccc1)C2=O)C
ZINC000020591130
ZINC20591130

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Available files

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