Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STK562182
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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 C23H22N4O4 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4/c1-31-18-5-2-4-17(14-18)21(28)19-20(16-6-8-24-9-7-16)27(23(30)22(19)29)12-3-11-26-13-10-25-15-26/h2,4-10,13-15,20,28H,3,11-12H2,1H3/b21-19+InChIKey
HJJMCOKADGAASK-XUTLUUPISA-NSynonyms
609316-34-9(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)(3methoxyphenyl)methanolate
609316349
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=NC=C4)O
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCCn1cc(nH+)c1)(O)
InChI=1SC23H22N4O4c1311852417(1418)21(28)1920(1668249716)27(23(30)22(19)29)12311261310251526h241013152028H31112H21H3b2119+
MFCD18243983
ZINC000102510333
ZINC000102510343
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