Vitas-M small molecule compound
(2Z)-7-[(3-methylpiperidinium-1-yl)methyl]-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK857029
SMILES COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C[NH+]2CCCC(C2)C)[O-])cc(c1OC)OC
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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 C25H29NO6 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6/c1-15-6-5-9-26(13-15)14-18-19(27)8-7-17-23(28)20(32-24(17)18)10-16-11-21(29-2)25(31-4)22(12-16)30-3/h7-8,10-12,15,27H,5-6,9,13-14H2,1-4H3/b20-10-InChIKey
PRHVTGINQACFIQ-JMIUGGIZSA-NSynonyms
869077-94-1(2Z)7((3methylpiperidin1ium1yl)methyl)3oxo2((345trimethoxyphenyl)methylidene)1benzofuran6olate
(2Z)7((3methylpiperidinium1yl)methyl)3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6olate
869077941
CC1CCC(NH+)(C1)CC2=C(C=CC3=C2OC(=CC4=CC(=C(C(=C4)OC)OC)OC)C3=O)(O)
COc1cc(C=C2Oc3c(C2=O)ccc(c3C(NH+)2CCCC(C2)C)(O))cc(c1OC)OC
InChI=1SC25H29NO6c11565926(1315)141819(27)871723(28)20(3224(17)18)10161121(292)25(314)22(1216)303h7810121527H5691314H214H3b2010
MFCD06405763
ZINC000020624495
ZINC000020624498
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