Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK628237
SMILES OCCN1CC[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 C25H26N2O5 MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O5/c1-16-12-20(29)19(15-27-8-6-26(7-9-27)10-11-28)25-23(16)24(30)22(32-25)14-18-13-17-4-2-3-5-21(17)31-18/h2-5,12-14,28-29H,6-11,15H2,1H3/b22-14-InChIKey
FNZMTLXHNUUEQG-HMAPJEAMSA-NSynonyms
929867-66-3(2Z)2(1benzofuran2ylmethylidene)6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)4methyl1benzofuran3one
(2Z)2(1benzofuran2ylmethylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)4methyl3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)4METHYLBENZO(B)FURAN3ONE
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)CN5CCN(CC5)CCO)O
InChI=1SC25H26N2O5c1161220(29)19(15278626(7927)101128)2523(16)24(30)22(3225)14181317423521(17)3118h2512142829H61115H21H3b2214
MFCD09791470
OCCN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)cccc3)C2=O)C
ZINC000020649317
ZINC20649317
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