Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK563958
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)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 C24H23ClN4O4 MW 466.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClN4O4/c1-2-33-19-7-6-16(13-18(19)25)22(30)20-21(17-5-3-8-26-14-17)29(24(32)23(20)31)11-4-10-28-12-9-27-15-28/h3,5-9,12-15,21,30H,2,4,10-11H2,1H3/b22-20+InChIKey
HAKPPBXQCZEERA-LSDHQDQOSA-NSynonyms
850720-06-8(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)5(3PYRIDYL)3PYRROLIN2ONE
4(3CHLORO4ETHOXYBENZOYL)3HYDROXY1(3(1HIMIDAZOL1YL)PROPYL)5(3PYRIDINYL)15DIHYDRO2HPYRROL2ONE
850720068
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CN=CC=C4)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccnc1)CCCn1cc(nH+)c1)(O)
InChI=1SC24H23ClN4O4c1233197616(1318(19)25)22(30)2021(17538261417)29(24(32)23(20)31)1141028129271528h35912152130H241011H21H3b2220+
MFCD18244426
ZINC000102524771
ZINC000102524777
Check stock
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Check stock on Vitas-MAvailable files
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