Vitas-M small molecule compound

methyl 4-{(Z)-[9-(3-methoxyphenyl)-3,7-dioxo-8,9-dihydro-7H-furo[2,3-f]chromen-2(3H)-ylidene]methyl}benzoate

Catalog ID
STL549256
SMILES COc1cccc(c1)C1CC(=O)Oc2c1c1O/C(=C\c3ccc(cc3)C(=O)OC)/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 C27H20O7 MW 456.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20O7/c1-31-18-5-3-4-17(13-18)20-14-23(28)33-21-11-10-19-25(29)22(34-26(19)24(20)21)12-15-6-8-16(9-7-15)27(30)32-2/h3-13,20H,14H2,1-2H3/b22-12-
InChIKey
HYQOMINVJCDEQP-UUYOSTAYSA-N
Synonyms

(Z)methyl4((9(3methoxyphenyl)37dioxo3789tetrahydro2Hfuro(23f)chromen2ylidene)methyl)benzoate
121541112
COc1cccc(c1)C1CC(=O)Oc2c1c1OC(=Cc3ccc(cc3)C(=O)OC)C(=O)c1cc2
InChI=1SC27H20O7c1311853417(1318)201423(28)332111101925(29)22(3426(19)24(20)21)12156816(9715)27(30)322h31320H14H212H3b2212
methyl4((~(Z))(9(3methoxyphenyl)37dioxo89dihydrofuro(23f)chromen2ylidene)methyl)benzoate
methyl4((Z)(9(3methoxyphenyl)37dioxo89dihydro7Hfuro(23f)chromen2(3H)ylidene)methyl)benzoate
MFCD30344035
ZINC000263585377
ZINC001081801664

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Available files

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