Vitas-M small molecule compound

(E)-(3-chloro-4-methoxyphenyl){2-(4-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STL149631
SMILES COc1ccc(cc1Cl)/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 C24H21ClFN3O4 MW 469.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClFN3O4/c1-33-19-8-5-16(13-18(19)25)22(30)20-21(15-3-6-17(26)7-4-15)29(24(32)23(20)31)11-2-10-28-12-9-27-14-28/h3-9,12-14,21,30H,2,10-11H2,1H3/b22-20+
InChIKey
IVSUTLWKMQLVSH-LSDHQDQOSA-N
Synonyms
862193-23-5
(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(4FLUOROPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(2(4fluorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
862193235
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)F)O)Cl
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CCCn1c(nH+)cc1)(O)
InChI=1SC24H21ClFN3O4c133198516(1318(19)25)22(30)2021(153617(26)7415)29(24(32)23(20)31)1121028129271428h3912142130H21011H21H3b2220+
MFCD20755641
ZINC000102929293
ZINC000102929295

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Available files

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