Vitas-M small molecule compound
(2Z)-2-(2,3-dimethoxybenzylidene)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856272
SMILES COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CC(C)CC(C1)C)[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 C25H29NO5 MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5/c1-15-10-16(2)13-26(12-15)14-19-20(27)9-8-18-23(28)22(31-25(18)19)11-17-6-5-7-21(29-3)24(17)30-4/h5-9,11,15-16,27H,10,12-14H2,1-4H3/b22-11-InChIKey
GYIKUMODMFEJBP-JJFYIABZSA-NSynonyms
929456-43-9(2Z)2((23dimethoxyphenyl)methylidene)7((35dimethylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(23dimethoxybenzylidene)7((35dimethylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
929456439
CC1CC(C(NH+)(C1)CC2=C(C=CC3=C2OC(=CC4=C(C(=CC=C4)OC)OC)C3=O)(O))C
COc1c(cccc1OC)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CC(C)CC(C1)C)(O)
InChI=1SC25H29NO5c1151016(2)1326(1215)141920(27)981823(28)22(3125(18)19)111765721(293)24(17)304h5911151627H101214H214H3b2211
MFCD09795907
ZINC000013681580
ZINC000020650870
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