Vitas-M small molecule compound
(2Z)-3-oxo-7-(piperidinium-1-ylmethyl)-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856477
SMILES COc1cc(/C=C/2\Oc3c(C2=O)ccc(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 C24H27NO6 MW 425.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO6/c1-28-20-12-15(13-21(29-2)24(20)30-3)11-19-22(27)16-7-8-18(26)17(23(16)31-19)14-25-9-5-4-6-10-25/h7-8,11-13,26H,4-6,9-10,14H2,1-3H3/b19-11-InChIKey
PUAHJUYQPGPVTR-ODLFYWEKSA-NSynonyms
869077-35-0(2Z)3oxo7(piperidin1ium1ylmethyl)2((345trimethoxyphenyl)methylidene)1benzofuran6olate
(2Z)3oxo7(piperidinium1ylmethyl)2(345trimethoxybenzylidene)23dihydro1benzofuran6olate
869077350
COC1=CC(=CC(=C1OC)OC)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCCCC4
COc1cc(C=C2Oc3c(C2=O)ccc(c3C(NH+)2CCCCC2)(O))cc(c1OC)OC
InChI=1SC24H27NO6c128201215(1321(292)24(20)303)111922(27)167818(26)17(23(16)3119)142595461025h78111326H4691014H213H3b1911
MFCD06405745
ZINC000020624443
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