Vitas-M small molecule compound
(2Z)-7-(azepanium-1-ylmethyl)-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STL515099
SMILES COc1c(ccc(c1OC)OC)/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 C25H29NO6 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6/c1-29-20-11-8-16(23(30-2)25(20)31-3)14-21-22(28)17-9-10-19(27)18(24(17)32-21)15-26-12-6-4-5-7-13-26/h8-11,14,27H,4-7,12-13,15H2,1-3H3/b21-14-InChIKey
KBVDOOXMWPDGPW-STZFKDTASA-NSynonyms
859130-47-5(2~(Z))7(azepan1ium1ylmethyl)3oxo2((234trimethoxyphenyl)methylidene)1benzofuran6olate
(2Z)7(azepanium1ylmethyl)3oxo2(234trimethoxybenzylidene)23dihydro1benzofuran6olate
29093872
859130475
MFCD06492538
ZINC000020610472
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