Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(3-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856227
SMILES CC1CCC[NH+](C1)Cc1c([O-])ccc2c1O/C(=C\c1cc3c(o1)cccc3)/C2=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/c1-15-5-4-10-25(13-15)14-19-20(26)9-8-18-23(27)22(29-24(18)19)12-17-11-16-6-2-3-7-21(16)28-17/h2-3,6-9,11-12,15,26H,4-5,10,13-14H2,1H3/b22-12-InChIKey
AKGDYBVHNXMFTN-UUYOSTAYSA-NSynonyms
929867-16-3(2Z)2(1benzofuran2ylmethylidene)6hydroxy7((3methylpiperidin1yl)methyl)1benzofuran3one
(2Z)2(1benzofuran2ylmethylidene)7((3methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY7((3METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
929867163
CC1CCC(NH+)(C1)Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)cccc3)C2=O
CC1CCCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)O
InChI=1SC24H23NO4c115541025(1315)141920(26)981823(27)22(2924(18)19)12171116623721(16)2817h236911121526H45101314H21H3b2212
MFCD09792296
ZINC000020646611
ZINC000020646614
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