Vitas-M small molecule compound
4-{5-[(2Z)-2-(furan-2-ylmethylidene)-3,7-dioxo-2,3,8,9-tetrahydro-7H-furo[2,3-f]chromen-9-yl]furan-2-yl}benzoic acid
Catalog ID
STL545695
SMILES O=C1Oc2ccc3c(c2C(C1)c1ccc(o1)c1ccc(cc1)C(=O)O)O/C(=C\c1ccco1)/C3=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 C27H16O8 MW 468.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H16O8/c28-23-13-18(20-10-9-19(33-20)14-3-5-15(6-4-14)27(30)31)24-21(34-23)8-7-17-25(29)22(35-26(17)24)12-16-2-1-11-32-16/h1-12,18H,13H2,(H,30,31)/b22-12-InChIKey
WIAKLVGRLYKAGD-UUYOSTAYSA-NSynonyms
(Z)4(5(2(furan2ylmethylene)37dioxo3789tetrahydro2Hfuro(23f)chromen9yl)furan2yl)benzoicacid
110207134
4(5((2~(Z))2(furan2ylmethylidene)37dioxo89dihydrofuro(23f)chromen9yl)furan2yl)benzoicacid
4(5((2Z)2(furan2ylmethylidene)37dioxo2389tetrahydro7Hfuro(23f)chromen9yl)furan2yl)benzoicacid
InChI=1SC27H16O8c28231318(2010919(3320)143515(6414)27(30)31)2421(3423)871725(29)22(3526(17)24)121621113216h11218H13H2(H3031)b2212
MFCD29056012
O=C1Oc2ccc3c(c2C(C1)c1ccc(o1)c1ccc(cc1)C(=O)O)OC(=Cc1ccco1)C3=O
ZINC000253414047
ZINC000253414048
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