Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK617489
SMILES Cc1cc([O-])c(c2c1C(=O)/C(=C/c1cc3c(o1)cccc3)/O2)C[NH+]1CCCCC1C
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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 C25H25NO4 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4/c1-15-11-20(27)19(14-26-10-6-5-7-16(26)2)25-23(15)24(28)22(30-25)13-18-12-17-8-3-4-9-21(17)29-18/h3-4,8-9,11-13,16,27H,5-7,10,14H2,1-2H3/b22-13-InChIKey
VOWIXBRNOIXGEC-XKZIYDEJSA-NSynonyms
929831-78-7(2Z)2(1benzofuran2ylmethylidene)4methyl7((2methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)4methyl7((2methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY4METHYL7((2METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
Cc1cc((O))c(c2c1C(=O)C(=Cc1cc3c(o1)cccc3)O2)C(NH+)1CCCCC1C
CC1CCCC(NH+)1CC2=C(C=C(C3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)C)(O)
InChI=1SC25H25NO4c1151120(27)19(14261065716(26)2)2523(15)24(28)22(3025)13181217834921(17)2918h348911131627H571014H212H3b2213
MFCD09796349
ZINC000020648049
ZINC000020648052
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