Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STL147700
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[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 C24H22N4O6 MW 462.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O6/c1-34-19-5-2-4-17(14-19)22(29)20-21(16-6-8-18(9-7-16)28(32)33)27(24(31)23(20)30)12-3-11-26-13-10-25-15-26/h2,4-10,13-15,21,29H,3,11-12H2,1H3/b22-20+InChIKey
QFDBDEHDCHNWHI-LSDHQDQOSA-NSynonyms
609316-01-0(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)(3methoxyphenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)4((3METHOXYPHENYL)CARBONYL)5(4NITROPHENYL)3PYRROLIN2ONE
609316010
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)(N+)(=O)(O))O
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CCCn1cc(nH+)c1)(O)
InChI=1SC24H22N4O6c1341952417(1419)22(29)2021(166818(9716)28(32)33)27(24(31)23(20)30)12311261310251526h241013152129H31112H21H3b2220+
MFCD20755243
ZINC000102925370
ZINC000102925372
Check stock
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Check stock on Vitas-MAvailable files
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