Vitas-M small molecule compound

(2Z)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK856804
SMILES COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C[NH+]2CCCC2)[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 C23H25NO6 MW 411.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO6/c1-27-19-11-14(12-20(28-2)23(19)29-3)10-18-21(26)15-6-7-17(25)16(22(15)30-18)13-24-8-4-5-9-24/h6-7,10-12,25H,4-5,8-9,13H2,1-3H3/b18-10-
InChIKey
AFTHERKINSIEDA-ZDLGFXPLSA-N
Synonyms
887214-35-9
(2Z)3oxo7(pyrrolidinium1ylmethyl)2(345trimethoxybenzylidene)23dihydro1benzofuran6olate
887214359
COC1=CC(=CC(=C1OC)OC)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCC4
COc1cc(C=C2Oc3c(C2=O)ccc(c3C(NH+)2CCCC2)(O))cc(c1OC)OC
InChI=1SC23H25NO6c127191114(1220(282)23(19)293)101821(26)156717(25)16(22(15)3018)1324845924h67101225H458913H213H3b1810
MFCD06745637
ZINC000020624707

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Available files

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