Vitas-M small molecule compound

4-[(3E)-2,5-dioxo-3-(pentafluorobenzylidene)pyrrolidin-1-yl]benzoic acid

Catalog ID
STK630769
SMILES O=C1C/C(=C\c2c(F)c(F)c(c(c2F)F)F)/C(=O)N1c1ccc(cc1)C(=O)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 C18H8F5NO4 MW 397.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H8F5NO4/c19-12-10(13(20)15(22)16(23)14(12)21)5-8-6-11(25)24(17(8)26)9-3-1-7(2-4-9)18(27)28/h1-5H,6H2,(H,27,28)/b8-5+
InChIKey
ZUAXUZAWFFBPOW-VMPITWQZSA-N
Synonyms
929837-80-9
(E)4(25dioxo3((perfluorophenyl)methylene)pyrrolidin1yl)benzoicacid
4((3E)25dioxo3((23456pentafluorophenyl)methylidene)pyrrolidin1yl)benzoicacid
4((3E)25dioxo3(pentafluorobenzylidene)pyrrolidin1yl)benzoicacid
929837809
C1C(=CC2=C(C(=C(C(=C2F)F)F)F)F)C(=O)N(C1=O)C3=CC=C(C=C3)C(=O)O
InChI=1SC18H8F5NO4c191210(13(20)15(22)16(23)14(12)21)58611(25)24(17(8)26)9317(249)18(27)28h15H6H2(H2728)b85+
MFCD09794426
O=C1CC(=Cc2c(F)c(F)c(c(c2F)F)F)C(=O)N1c1ccc(cc1)C(=O)O
ZINC000008990988
ZINC8990988

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Available files

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