Vitas-M small molecule compound
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3,4,5-trimethoxybenzoate
Catalog ID
STL033463
SMILES COc1cc(cc(c1OC)OC)C(=O)Oc1ccc2c(c1C)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 C27H22O9 MW 490.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22O9/c1-14-18(36-27(29)16-11-22(30-2)26(32-4)23(12-16)31-3)8-6-17-24(28)21(35-25(14)17)10-15-5-7-19-20(9-15)34-13-33-19/h5-12H,13H2,1-4H3/b21-10-InChIKey
FIIHUXSLLCUURT-FBHDLOMBSA-NSynonyms
859666-50-5((2Z)2(13BENZODIOXOL5YLMETHYLIDENE)7METHYL3OXO1BENZOFURAN6YL)345TRIMETHOXYBENZOATE
(2Z)2(13benzodioxol5ylmethylidene)7methyl3oxo23dihydro1benzofuran6yl345trimethoxybenzoate
(Z)2(benzo(d)(13)dioxol5ylmethylene)7methyl3oxo23dihydrobenzofuran6yl345trimethoxybenzoate
2(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)7METHYL3OXOBENZO(34B)FURAN6YL345TRIMETHOXYBENZOATE
859666505
CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC
COc1cc(cc(c1OC)OC)C(=O)Oc1ccc2c(c1C)OC(=Cc1ccc3c(c1)OCO3)C2=O
InChI=1SC27H22O9c11418(3627(29)161122(302)26(324)23(1216)313)861724(28)21(3525(14)17)1015571920(915)34133319h512H13H214H3b2110
MFCD06495900
ZINC000008789849
ZINC08789849
ZINC8789849
Check stock
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Check stock on Vitas-MAvailable files
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