Vitas-M small molecule compound
(E)-{2-(2-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STL036907
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CCCn1cc[nH+]c1)/[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 C24H22FN3O4 MW 435.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22FN3O4/c1-32-17-7-4-6-16(14-17)22(29)20-21(18-8-2-3-9-19(18)25)28(24(31)23(20)30)12-5-11-27-13-10-26-15-27/h2-4,6-10,13-15,21,29H,5,11-12H2,1H3/b22-20+InChIKey
MRLUBGSTZBMPHD-LSDHQDQOSA-NSynonyms
(4E)5(2FLUOROPHENYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(2fluorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(3methoxyphenyl)methanolate
5(2FLUOROPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((3METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=C4F)O
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CCCn1cc(nH+)c1)(O)
InChI=1SC24H22FN3O4c1321774616(1417)22(29)2021(18823919(18)25)28(24(31)23(20)30)12511271310261527h2461013152129H51112H21H3b2220+
MFCD18247320
ZINC000102856932
ZINC000102856933
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