Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){2-(2-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL039938
SMILES COc1ccc(cc1Cl)/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 C24H21ClFN3O4 MW 469.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClFN3O4/c1-33-19-8-7-15(13-17(19)25)22(30)20-21(16-5-2-3-6-18(16)26)29(24(32)23(20)31)11-4-10-28-12-9-27-14-28/h2-3,5-9,12-14,21,30H,4,10-11H2,1H3/b22-20+InChIKey
BYWWLBXZRYDMGK-LSDHQDQOSA-NSynonyms
862245-52-1(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(2FLUOROPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(2(2fluorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
862245521
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=C4F)O)Cl
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CCCn1cc(nH+)c1)(O)
InChI=1SC24H21ClFN3O4c133198715(1317(19)25)22(30)2021(16523618(16)26)29(24(32)23(20)31)1141028129271428h235912142130H41011H21H3b2220+
MFCD18247920
ZINC000102865100
ZINC000102865103
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