Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){2-(3-chlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL045040
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)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 C24H21Cl2N3O4 MW 486.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21Cl2N3O4/c1-33-19-7-6-16(13-18(19)26)22(30)20-21(15-4-2-5-17(25)12-15)29(24(32)23(20)31)10-3-9-28-11-8-27-14-28/h2,4-8,11-14,21,30H,3,9-10H2,1H3/b22-20+InChIKey
MGCUSUMIJQEGFP-LSDHQDQOSA-NSynonyms
840473-07-6(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(3CHLOROPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(2(3chlorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
840473076
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)Cl)O)Cl
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)CCCn1c(nH+)cc1)(O)
InChI=1SC24H21Cl2N3O4c133197616(1318(19)26)22(30)2021(1542517(25)1215)29(24(32)23(20)31)103928118271428h24811142130H3910H21H3b2220+
MFCD18248546
ZINC000102876618
ZINC000102876621
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