Vitas-M small molecule compound

(2Z)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK623804
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc(OC)c(c(c1)OC)OC)/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 C25H30N2O7 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O7/c1-31-21-13-16(14-22(32-2)25(21)33-3)12-20-23(30)17-4-5-19(29)18(24(17)34-20)15-27-8-6-26(7-9-27)10-11-28/h4-5,12-14,28-29H,6-11,15H2,1-3H3/b20-12-
InChIKey
QVFQDJUKGYKVJE-NDENLUEZSA-N
Synonyms
869078-47-7
(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6olate
6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)2((345TRIMETHOXYPHENYL)METHYLENE)BENZO(B)FURAN3ONE
MFCD06405812
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc(OC)c(c(c1)OC)OC)C2=O
ZINC000022785350
ZINC22785350

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Available files

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