Vitas-M small molecule compound

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

Catalog ID
STK851219
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc(OC)c(cc1OC)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 C25H30N2O6 MW 454.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O6/c1-5-26-8-10-27(11-9-26)15-18-19(28)7-6-17-24(29)23(33-25(17)18)13-16-12-21(31-3)22(32-4)14-20(16)30-2/h6-7,12-14,28H,5,8-11,15H2,1-4H3/b23-13-
InChIKey
RMQMVAXFMVYFBM-QRVIBDJDSA-N
Synonyms
899391-35-6
(2Z)7((4ethylpiperazin1ium1yl)methyl)3oxo2(245trimethoxybenzylidene)23dihydro1benzofuran6olate
(2Z)7((4ETHYLPIPERAZIN1YL)METHYL)6HYDROXY2((245TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN3ONE
7((4ETHYLPIPERAZINYL)METHYL)6HYDROXY2((245TRIMETHOXYPHENYL)METHYLENE)BENZO(B)FURAN3ONE
899391356
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc(OC)c(cc1OC)OC)C2=O
CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=C(C=C4OC)OC)OC)C3=O)O
InChI=1SC25H30N2O6c152681027(11926)151819(28)761724(29)23(3325(17)18)13161221(313)22(324)1420(16)302h67121428H581115H214H3b2313
MFCD06609021
ZINC000020533316
ZINC20533316

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Available files

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