Vitas-M small molecule compound

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

Catalog ID
STK855326
SMILES COc1ccc(cc1)C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccncc1)/C2=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 C23H17NO5 MW 387.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17NO5/c1-14-11-18(28-23(26)16-3-5-17(27-2)6-4-16)13-19-21(14)22(25)20(29-19)12-15-7-9-24-10-8-15/h3-13H,1-2H3/b20-12-
InChIKey
RZJIISFWBGGBSA-NDENLUEZSA-N
Synonyms
903200-59-9
((2Z)4methyl3oxo2(pyridin4ylmethylidene)1benzofuran6yl)4methoxybenzoate
(2Z)4methyl3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6yl4methoxybenzoate
(Z)4methyl3oxo2(pyridin4ylmethylene)23dihydrobenzofuran6yl4methoxybenzoate
4METHYL3OXO2(4PYRIDYLMETHYLENE)BENZO(34B)FURAN6YL4METHOXYBENZOATE
903200599
CC1=CC(=CC2=C1C(=O)C(=CC3=CC=NC=C3)O2)OC(=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccncc1)C2=O
InChI=1SC23H17NO5c1141118(2823(26)163517(272)6416)131921(14)22(25)20(2919)1215792410815h313H12H3b2012
MFCD08288792
ZINC000006672340
ZINC06672340
ZINC6672340

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Available files

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