Vitas-M small molecule compound
(2Z)-7-(azepanium-1-ylmethyl)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856279
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCCC1)[O-])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 C24H27NO5 MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5/c1-28-17-7-10-21(29-2)16(13-17)14-22-23(27)18-8-9-20(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/b22-14-InChIKey
RFWBWJSYZAQCRP-HMAPJEAMSA-NSynonyms
893350-15-7(2Z)7(azepanium1ylmethyl)2(25dimethoxybenzylidene)3oxo23dihydro1benzofuran6olate
893350157
COC1=CC(=C(C=C1)OC)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCCCC4
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCCCC1)(O))OC
InChI=1SC24H27NO5c1281771021(292)16(1317)142223(27)188920(26)19(24(18)3022)15251153461225h710131426H36111215H212H3b2214
MFCD06692093
ZINC000020648993
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