Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856194
SMILES CN1CC[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 C24H24N2O4 MW 404.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O4/c1-15-11-19(27)18(14-26-9-7-25(2)8-10-26)24-22(15)23(28)21(30-24)13-17-12-16-5-3-4-6-20(16)29-17/h3-6,11-13,27H,7-10,14H2,1-2H3/b21-13-InChIKey
UOBAQOXVGSMTCB-BKUYFWCQSA-NSynonyms
929973-20-6(2Z)2(1benzofuran2ylmethylidene)4methyl7((4methylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)4methyl7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY4METHYL7((4METHYLPIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
929973206
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)C(NH+)5CCN(CC5)C)(O)
CN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)cccc3)C2=O)C
InChI=1SC24H24N2O4c1151119(27)18(14269725(2)81026)2422(15)23(28)21(3024)13171216534620(16)2917h36111327H71014H212H3b2113
MFCD09794363
ZINC000020663668
ZINC20663668
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