Vitas-M small molecule compound

(2Z)-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2,6-dimethoxybenzoate

Catalog ID
STK854778
SMILES COc1cccc(c1C(=O)Oc1cc2O/C(=C\c3ccncc3)/C(=O)c2c(c1)C)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 C24H19NO6 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19NO6/c1-14-11-16(30-24(27)22-17(28-2)5-4-6-18(22)29-3)13-19-21(14)23(26)20(31-19)12-15-7-9-25-10-8-15/h4-13H,1-3H3/b20-12-
InChIKey
XIMSIVAHVZKBFL-NDENLUEZSA-N
Synonyms
903856-77-9
((2Z)4methyl3oxo2(pyridin4ylmethylidene)1benzofuran6yl)26dimethoxybenzoate
(2Z)4methyl3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6yl26dimethoxybenzoate
(Z)4methyl3oxo2(pyridin4ylmethylene)23dihydrobenzofuran6yl26dimethoxybenzoate
4METHYL3OXO2(4PYRIDYLMETHYLENE)BENZO(34B)FURAN6YL26DIMETHOXYBENZOATE
903856779
CC1=CC(=CC2=C1C(=O)C(=CC3=CC=NC=C3)O2)OC(=O)C4=C(C=CC=C4OC)OC
COc1cccc(c1C(=O)Oc1cc2OC(=Cc3ccncc3)C(=O)c2c(c1)C)OC
InChI=1SC24H19NO6c1141116(3024(27)2217(282)54618(22)293)131921(14)23(26)20(3119)1215792510815h413H13H3b2012
MFCD08286710
ZINC000006669875
ZINC06669875
ZINC6669875

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.