Vitas-M small molecule compound

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3,4,5-trimethoxybenzoate

Catalog ID
STL033462
SMILES COc1cc(cc(c1OC)OC)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 C26H20O9 MW 476.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20O9/c1-29-22-10-15(11-23(30-2)25(22)31-3)26(28)34-16-5-6-17-19(12-16)35-21(24(17)27)9-14-4-7-18-20(8-14)33-13-32-18/h4-12H,13H2,1-3H3/b21-9-
InChIKey
ZPMVXOGRLTUGED-NKVSQWTQSA-N
Synonyms
859660-71-2
((2Z)2(13BENZODIOXOL5YLMETHYLIDENE)3OXO1BENZOFURAN6YL)345TRIMETHOXYBENZOATE
(2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl345trimethoxybenzoate
(Z)2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl345trimethoxybenzoate
2(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)3OXOBENZO(34B)FURAN6YL345TRIMETHOXYBENZOATE
859660712
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3
COc1cc(cc(c1OC)OC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
InChI=1SC26H20O9c129221015(1123(302)25(22)313)26(28)3416561719(1216)3521(24(17)27)914471820(814)33133218h412H13H213H3b219
MFCD06493843
ZINC000011866187
ZINC11866187

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Available files

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