Vitas-M small molecule compound
(E)-(4-chlorophenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK564708
SMILES Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])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 C23H19ClN4O5 MW 466.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O5/c24-17-7-5-15(6-8-17)21(29)19-20(16-3-1-4-18(13-16)28(32)33)27(23(31)22(19)30)11-2-10-26-12-9-25-14-26/h1,3-9,12-14,20,29H,2,10-11H2/b21-19+InChIKey
QGQKNZQDYFJKCN-XUTLUUPISA-NSynonyms
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(3(1Himidazol3ium1yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
4((4CHLOROPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)5(3NITROPHENYL)3PYRROLIN2ONE
C1=CC(=CC(=C1)(N+)(=O)(O))C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCCN4C=CN=C4
Clc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCCn1cc(nH+)c1)(O)
InChI=1SC23H19ClN4O5c24177515(6817)21(29)1920(1631418(1316)28(32)33)27(23(31)22(19)30)1121026129251426h13912142029H21011H2b2119+
MFCD18244595
ZINC000102529676
ZINC000102529684
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