Vitas-M small molecule compound

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

Catalog ID
STK628851
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc3c(o1)cccc3)/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 C24H24N2O4 MW 404.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O4/c1-2-25-9-11-26(12-10-25)15-19-20(27)8-7-18-23(28)22(30-24(18)19)14-17-13-16-5-3-4-6-21(16)29-17/h3-8,13-14,27H,2,9-12,15H2,1H3/b22-14-
InChIKey
OAFKBXQYZHEGJJ-HMAPJEAMSA-N
Synonyms
951932-21-1
(2Z)2(1benzofuran2ylmethylidene)7((4ethylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)7((4ethylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)7((4ETHYLPIPERAZINYL)METHYL)6HYDROXYBENZO(B)FURAN3ONE
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)cccc3)C2=O
CCN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)(O)
InChI=1SC24H24N2O4c122591126(121025)151920(27)871823(28)22(3024(18)19)14171316534621(16)2917h38131427H291215H21H3b2214
MFCD09852074
ZINC000022935515
ZINC22935515

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Available files

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