Vitas-M small molecule compound
(2Z)-7-(azepanium-1-ylmethyl)-2-(2,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855991
SMILES COc1cc(OC)ccc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCCC1)[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 C24H27NO5 MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5/c1-28-17-8-7-16(21(14-17)29-2)13-22-23(27)18-9-10-20(26)19(24(18)30-22)15-25-11-5-3-4-6-12-25/h7-10,13-14,26H,3-6,11-12,15H2,1-2H3/b22-13-InChIKey
PKZLXOYFQNAHNY-XKZIYDEJSA-NSynonyms
893350-08-8(2Z)7(azepanium1ylmethyl)2(24dimethoxybenzylidene)3oxo23dihydro1benzofuran6olate
893350088
COC1=CC(=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCCCC4)OC
COc1cc(OC)ccc1C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCCCC1)(O)
InChI=1SC24H27NO5c128178716(21(1417)292)132223(27)1891020(26)19(24(18)3022)15251153461225h710131426H36111215H212H3b2213
MFCD06692092
ZINC000020646869
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