Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856809
SMILES O=C1/C(=C/c2cc3c(o2)cccc3)/Oc2c1ccc(c2C[NH+]1CCCCC1C)[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 C24H23NO4 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO4/c1-15-6-4-5-11-25(15)14-19-20(26)10-9-18-23(27)22(29-24(18)19)13-17-12-16-7-2-3-8-21(16)28-17/h2-3,7-10,12-13,15,26H,4-6,11,14H2,1H3/b22-13-InChIKey
BCLDHZFTYVFEKU-XKZIYDEJSA-NSynonyms
929855-14-1(2Z)2(1benzofuran2ylmethylidene)7((2methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)7((2methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY7((2METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
929855141
CC1CCCC(NH+)1CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)(O)
InChI=1SC24H23NO4c1156451125(15)141920(26)1091823(27)22(2924(18)19)13171216723821(16)2817h2371012131526H461114H21H3b2213
MFCD09791417
O=C1C(=Cc2cc3c(o2)cccc3)Oc2c1ccc(c2C(NH+)1CCCCC1C)(O)
ZINC000020647369
ZINC000020647372
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