Vitas-M small molecule compound

{[(2Z)-4-methyl-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetonitrile

Catalog ID
STK854272
SMILES N#CCOc1cc2O/C(=C\c3ccc(c(c3OC)OC)OC)/C(=O)c2c(c1)C

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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 C21H19NO6 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO6/c1-12-9-14(27-8-7-22)11-16-18(12)19(23)17(28-16)10-13-5-6-15(24-2)21(26-4)20(13)25-3/h5-6,9-11H,8H2,1-4H3/b17-10-
InChIKey
PLJFTRQKFJYZQN-YVLHZVERSA-N
Synonyms
903200-51-1
(((2Z)4methyl3oxo2(234trimethoxybenzylidene)23dihydro1benzofuran6yl)oxy)acetonitrile
(Z)2((4methyl3oxo2(234trimethoxybenzylidene)23dihydrobenzofuran6yl)oxy)acetonitrile
2(((2Z)4METHYL3OXO2((234TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN6YL)OXY)ACETONITRILE
2(4METHYL3OXO2((234TRIMETHOXYPHENYL)METHYLENE)BENZO(34B)FURAN6YLOXY)ETHANENITRILE
903200511
CC1=CC(=CC2=C1C(=O)C(=CC3=C(C(=C(C=C3)OC)OC)OC)O2)OCC#N
InChI=1SC21H19NO6c112914(278722)111618(12)19(23)17(2816)10135615(242)21(264)20(13)253h56911H8H214H3b1710
MFCD08288790
N#CCOc1cc2OC(=Cc3ccc(c(c3OC)OC)OC)C(=O)c2c(c1)C
ZINC000006756247
ZINC06756247
ZINC6756247

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Available files

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