Vitas-M small molecule compound
(E)-(4-chlorophenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Catalog ID
STL046391
SMILES Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)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 C23H20ClN3O3 MW 421.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O3/c24-18-9-7-17(8-10-18)21(28)19-20(16-5-2-1-3-6-16)27(23(30)22(19)29)13-4-12-26-14-11-25-15-26/h1-3,5-11,14-15,20,28H,4,12-13H2/b21-19+InChIKey
RRPFNDADZWPQMQ-XUTLUUPISA-NSynonyms
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5PHENYLPYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2phenylpyrrolidin3ylidene)methanolate
C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCCN4C=CN=C4
Clc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1)CCCn1cc(nH+)c1)(O)
InChI=1SC23H20ClN3O3c24189717(81018)21(28)1920(165213616)27(23(30)22(19)29)13412261411251526h1351114152028H41213H2b2119+
MFCD18248840
ZINC000102880490
ZINC000102880491
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