Vitas-M small molecule compound

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

Catalog ID
STK589598
SMILES OCCN1CC[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 C23H26N2O4 MW 394.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O4/c1-16-3-2-4-17(13-16)14-21-22(28)18-5-6-20(27)19(23(18)29-21)15-25-9-7-24(8-10-25)11-12-26/h2-6,13-14,26-27H,7-12,15H2,1H3/b21-14-
InChIKey
SPEXAFORMVJATD-STZFKDTASA-N
Synonyms
896836-06-9
(2Z)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)2((3METHYLPHENYL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)2((3methylphenyl)methylidene)3oxo1benzofuran6olate
(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)2(3methylbenzylidene)3oxo23dihydro1benzofuran6olate
6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)2((3METHYLPHENYL)METHYLENE)BENZO(B)FURAN3ONE
CC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCN(CC4)CCO
InChI=1SC23H26N2O4c11632417(1316)142122(28)185620(27)19(23(18)2921)15259724(81025)111226h2613142627H71215H21H3b2114
MFCD06600488
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cccc(c1)C)C2=O
ZINC000022939893
ZINC22939893

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Available files

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