Vitas-M small molecule compound

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

Catalog ID
STK853596
SMILES COc1cc(/C=C/2\Oc3c(C2=O)c(C)cc(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 C24H27NO6 MW 425.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO6/c1-14-9-17(26)16(13-25-7-5-6-8-25)23-21(14)22(27)18(31-23)10-15-11-19(28-2)24(30-4)20(12-15)29-3/h9-12,26H,5-8,13H2,1-4H3/b18-10-
InChIKey
BPNRYMZPCGSJCN-ZDLGFXPLSA-N
Synonyms
904007-75-6
(2Z)4methyl3oxo7(pyrrolidinium1ylmethyl)2(345trimethoxybenzylidene)23dihydro1benzofuran6olate
(2Z)6hydroxy4methyl7(pyrrolidin1ylmethyl)2((345trimethoxyphenyl)methylidene)1benzofuran3one
904007756
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)O2)CN4CCCC4)O
COc1cc(C=C2Oc3c(C2=O)c(C)cc(c3C(NH+)2CCCC2)(O))cc(c1OC)OC
InChI=1SC24H27NO6c114917(26)16(1325756825)2321(14)22(27)18(3123)10151119(282)24(304)20(1215)293h91226H5813H214H3b1810
MFCD08288582
ZINC000020573772

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Available files

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