Vitas-M small molecule compound
(2Z)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK622421
SMILES COC(=O)c1ccc(cc1)/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 C25H27NO5 MW 421.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO5/c1-15-10-16(2)13-26(12-15)14-20-21(27)9-8-19-23(28)22(31-24(19)20)11-17-4-6-18(7-5-17)25(29)30-3/h4-9,11,15-16,27H,10,12-14H2,1-3H3/b22-11-InChIKey
PQNULEWZBCSFOT-JJFYIABZSA-NSynonyms
929398-10-7(2Z)7((35dimethylpiperidinium1yl)methyl)2(4(methoxycarbonyl)benzylidene)3oxo23dihydro1benzofuran6olate
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CC(C)CC(C1)C)(O)
METHYL4((7((35DIMETHYLPIPERIDYL)METHYL)6HYDROXY3OXOBENZO(D)FURAN2YLIDENE)METHYL)BENZOATE
MFCD09789295
ZINC000013654487
ZINC000020647417
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