Vitas-M small molecule compound
(2Z)-4-methyl-3-oxo-7-(piperidinium-1-ylmethyl)-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK854686
SMILES COc1cc(/C=C/2\Oc3c(C2=O)c(C)cc(c3C[NH+]2CCCCC2)[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/c1-15-10-18(27)17(14-26-8-6-5-7-9-26)24-22(15)23(28)19(32-24)11-16-12-20(29-2)25(31-4)21(13-16)30-3/h10-13,27H,5-9,14H2,1-4H3/b19-11-InChIKey
IJXOUIXKOZVUBR-ODLFYWEKSA-NSynonyms
903200-34-0(2Z)4methyl3oxo7(piperidin1ium1ylmethyl)2((345trimethoxyphenyl)methylidene)1benzofuran6olate
(2Z)4methyl3oxo7(piperidinium1ylmethyl)2(345trimethoxybenzylidene)23dihydro1benzofuran6olate
903200340
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)O2)C(NH+)4CCCCC4)(O)
COc1cc(C=C2Oc3c(C2=O)c(C)cc(c3C(NH+)2CCCCC2)(O))cc(c1OC)OC
InChI=1SC25H29NO6c1151018(27)17(14268657926)2422(15)23(28)19(3224)11161220(292)25(314)21(1316)303h101327H5914H214H3b1911
MFCD08291108
ZINC000020590276
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