Vitas-M small molecule compound
(E)-{2-(4-chlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STK562989
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)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 C26H26ClN3O4 MW 479.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O4/c1-2-16-34-21-10-6-19(7-11-21)24(31)22-23(18-4-8-20(27)9-5-18)30(26(33)25(22)32)14-3-13-29-15-12-28-17-29/h4-12,15,17,23,31H,2-3,13-14,16H2,1H3/b24-22+InChIKey
KTOQKVFXMNJCGO-ZNTNEXAZSA-NSynonyms
615277-00-4(4E)5(4CHLOROPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4chlorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
5(4CHLOROPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615277004
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)Cl)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCCn1c(nH+)cc1)(O)
InChI=1SC26H26ClN3O4c1216342110619(71121)24(31)2223(184820(27)9518)30(26(33)25(22)32)14313291512281729h41215172331H23131416H21H3b2422+
MFCD18244175
ZINC000102516861
ZINC000102516868
Check stock
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Check stock on Vitas-MAvailable files
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