Vitas-M small molecule compound

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3-methoxybenzoate

Catalog ID
STK925677
SMILES COc1cccc(c1)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/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 C24H16O7 MW 416.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16O7/c1-27-16-4-2-3-15(11-16)24(26)30-17-6-7-18-20(12-17)31-22(23(18)25)10-14-5-8-19-21(9-14)29-13-28-19/h2-12H,13H2,1H3/b22-10-
InChIKey
AZVQAIZQUIVFMO-YVNNLAQVSA-N
Synonyms
929452-53-9
((2Z)2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)3methoxybenzoate
(2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl3methoxybenzoate
(Z)2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl3methoxybenzoate
2(13BENZODIOXOL5YLMETHYLENE)3OXO23DIHYDRO1BENZOFURAN6YL3METHOXYBENZOATE
2(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)3OXOBENZO(34B)FURAN6YL3METHOXYBENZOATE
929452539
COC1=CC=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3
COc1cccc(c1)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
InChI=1SC24H16O7c1271642315(1116)24(26)3017671820(1217)3122(23(18)25)1014581921(914)29132819h212H13H21H3b2210
MFCD08742003
ZINC000008879564
ZINC08879564
ZINC8879564

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Available files

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