Vitas-M small molecule compound

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

Catalog ID
STK620227
SMILES CCN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cc3c(o1)cccc3)/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 C25H26N2O4 MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O4/c1-3-26-8-10-27(11-9-26)15-19-20(28)12-16(2)23-24(29)22(31-25(19)23)14-18-13-17-6-4-5-7-21(17)30-18/h4-7,12-14,28H,3,8-11,15H2,1-2H3/b22-14-
InChIKey
LSHDJKHEUZKSOI-HMAPJEAMSA-N
Synonyms
951949-38-5
(2Z)2(1benzofuran2ylmethylidene)7((4ethylpiperazin1ium1yl)methyl)4methyl3oxo23dihydro1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)7((4ethylpiperazin1yl)methyl)6hydroxy4methyl1benzofuran3one
2(BENZO(D)FURAN2YLMETHYLENE)7((4ETHYLPIPERAZINYL)METHYL)6HYDROXY4METHYLBENZO(B)FURAN3ONE
CCN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)cccc3)C2=O)C
CCN1CCN(CC1)CC2=C(C=C(C3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)C)O
InChI=1SC25H26N2O4c132681027(11926)151920(28)1216(2)2324(29)22(3125(19)23)14181317645721(17)3018h47121428H381115H212H3b2214
MFCD09853708
ZINC000022935554
ZINC22935554

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Available files

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