Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){2-(3-chlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK561896
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)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 C25H23Cl2N3O4 MW 500.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23Cl2N3O4/c1-2-34-20-8-7-17(14-19(20)27)23(31)21-22(16-5-3-6-18(26)13-16)30(25(33)24(21)32)11-4-10-29-12-9-28-15-29/h3,5-9,12-15,22,31H,2,4,10-11H2,1H3/b23-21+InChIKey
HROKQQDCPQZYMV-XTQSDGFTSA-NSynonyms
853753-28-3(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(3CHLOROPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(2(3chlorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
4((3CHLORO4ETHOXYPHENYL)CARBONYL)5(3CHLOROPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)3PYRROLIN2ONE
853753283
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)Cl)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)CCCn1cc(nH+)c1)(O)
InChI=1SC25H23Cl2N3O4c1234208717(1419(20)27)23(31)2122(1653618(26)1316)30(25(33)24(21)32)1141029129281529h35912152231H241011H21H3b2321+
MFCD18243921
ZINC000102507960
ZINC000102507966
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