Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL045794
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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 C23H21ClN4O4 MW 452.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O4/c1-32-18-4-3-16(13-17(18)24)21(29)19-20(15-5-7-25-8-6-15)28(23(31)22(19)30)11-2-10-27-12-9-26-14-27/h3-9,12-14,20,29H,2,10-11H2,1H3/b21-19+InChIKey
HMXXPIKSMZUZMR-XUTLUUPISA-NSynonyms
853753-69-2(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)5(4PYRIDYL)3PYRROLIN2ONE
4(3CHLORO4METHOXYBENZOYL)3HYDROXY1(3(1HIMIDAZOL1YL)PROPYL)5(4PYRIDINYL)15DIHYDRO2HPYRROL2ONE
853753692
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=NC=C4)O)Cl
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCCn1c(nH+)cc1)(O)
InChI=1SC23H21ClN4O4c132184316(1317(18)24)21(29)1920(1557258615)28(23(31)22(19)30)1121027129261427h3912142029H21011H21H3b2119+
MFCD18248712
ZINC000102878551
ZINC000102878555
Check stock
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Check stock on Vitas-MAvailable files
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