Vitas-M small molecule compound

(E)-{2-(4-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate

Catalog ID
STL044880
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CCCn1c[nH+]cc1)/[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 C26H24FN3O4 MW 461.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O4/c1-2-16-34-21-10-6-19(7-11-21)24(31)22-23(18-4-8-20(27)9-5-18)30(26(33)25(22)32)14-3-13-29-15-12-28-17-29/h2,4-12,15,17,23,31H,1,3,13-14,16H2/b24-22+
InChIKey
HRKOYIMCDVQZRF-ZNTNEXAZSA-N
Synonyms
614748-11-7
(4E)5(4FLUOROPHENYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4fluorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
614748117
C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)F)O
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CCCn1c(nH+)cc1)(O)
InChI=1SC26H24FN3O4c1216342110619(71121)24(31)2223(184820(27)9518)30(26(33)25(22)32)14313291512281729h241215172331H13131416H2b2422+
MFCD18248510
ZINC000101287447
ZINC000101287452

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Available files

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