Vitas-M small molecule compound

methyl 4-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,7-dioxo-2,3,8,9-tetrahydro-7H-furo[2,3-f]chromen-9-yl]benzoate

Catalog ID
STL546836
SMILES COC(=O)c1ccc(cc1)C1CC(=O)Oc2c1c1O/C(=C\c3ccc4c(c3)OCCO4)/C(=O)c1cc2

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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 C28H20O8 MW 484.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20O8/c1-32-28(31)17-5-3-16(4-6-17)19-14-24(29)35-21-9-7-18-26(30)23(36-27(18)25(19)21)13-15-2-8-20-22(12-15)34-11-10-33-20/h2-9,12-13,19H,10-11,14H2,1H3/b23-13-
InChIKey
SOSIAPSNEKANNA-QRVIBDJDSA-N
Synonyms

(Z)methyl4(2((23dihydrobenzo(b)(14)dioxin6yl)methylene)37dioxo3789tetrahydro2Hfuro(23f)chromen9yl)benzoate
110208086
COC(=O)c1ccc(cc1)C1CC(=O)Oc2c1c1OC(=Cc3ccc4c(c3)OCCO4)C(=O)c1cc2
InChI=1SC28H20O8c13228(31)175316(4617)191424(29)3521971826(30)23(3627(18)25(19)21)1315282022(1215)3411103320h29121319H101114H21H3b2313
methyl4((2~(Z))2(23dihydro14benzodioxin6ylmethylidene)37dioxo89dihydrofuro(23f)chromen9yl)benzoate
methyl4((2Z)2(23dihydro14benzodioxin6ylmethylidene)37dioxo2389tetrahydro7Hfuro(23f)chromen9yl)benzoate
MFCD29056455
ZINC000253412952
ZINC001547138111

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Available files

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