Vitas-M small molecule compound
(5E)-2-hydroxy-1-(4-methoxyphenyl)-5-{[1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}pyrimidine-4,6(1H,5H)-dione
Catalog ID
STK562428
SMILES COc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccn(c2)c2cccc(c2)[N+](=O)[O-])/C1=O)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 C22H16N4O6 MW 432.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O6/c1-32-18-7-5-15(6-8-18)25-21(28)19(20(27)23-22(25)29)11-14-9-10-24(13-14)16-3-2-4-17(12-16)26(30)31/h2-13H,1H3,(H,23,27,29)/b19-11+InChIKey
YVYCLBIFUAIQKG-YBFXNURJSA-NSynonyms
340311-71-9(5E)1(4METHOXYPHENYL)5((1(3NITROPHENYL)PYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)2hydroxy1(4methoxyphenyl)5((1(3nitrophenyl)1Hpyrrol3yl)methylidene)pyrimidine46(1H5H)dione
340311719
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C=C3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)NC2=O
COc1ccc(cc1)N1C(=NC(=O)C(=Cc2ccn(c2)c2cccc(c2)(N+)(=O)(O))C1=O)O
InChI=1SC22H16N4O6c132187515(6818)2521(28)19(20(27)2322(25)29)111491024(1314)1632417(1216)26(30)31h213H1H3(H232729)b1911+
MFCD04077832
ZINC000002233220
ZINC2233220
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