Vitas-M small molecule compound

dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(3,4-difluorophenyl)propanoate]

Catalog ID
STL422181
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(c(c1)F)F)CC(=O)OC)c1ccc(c(c1)F)F

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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 C26H20F4O8 MW 536.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20F4O8/c1-37-19(31)9-13(11-3-5-15(27)17(29)7-11)21-23(33)25(35)22(26(36)24(21)34)14(10-20(32)38-2)12-4-6-16(28)18(30)8-12/h3-8,13-14,33,36H,9-10H2,1-2H3
InChIKey
ZKFJXZBHICOWIQ-UHFFFAOYSA-N
Synonyms
1676086-50-2
1676086502
COC(=O)CC(C1=CC(=C(C=C1)F)F)C2=C(C(=O)C(=C(C2=O)O)C(CC(=O)OC)C3=CC(=C(C=C3)F)F)O
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(34difluorophenyl)propanoate)
InChI=1SC26H20F4O8c13719(31)913(113515(27)17(29)711)2123(33)25(35)22(26(36)24(21)34)14(1020(32)382)124616(28)18(30)812h3813143336H910H212H3
methyl3(34difluorophenyl)3(4(1(34difluorophenyl)3methoxy3oxopropyl)25dihydroxy36dioxocyclohexa14dien1yl)propanoate
MFCD28987102
ZINC000218565415
ZINC000218565578

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Available files

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