Vitas-M small molecule compound
(5E)-6-hydroxy-5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK630437
SMILES COc1cc(ccc1c1ccc(o1)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)[N+](=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 C23H17N3O7 MW 447.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O7/c1-13-3-5-14(6-4-13)25-22(28)18(21(27)24-23(25)29)12-16-8-10-19(33-16)17-9-7-15(26(30)31)11-20(17)32-2/h3-12H,1-2H3,(H,24,27,29)/b18-12+InChIKey
KJTKSYVQLRZGKR-LDADJPATSA-NSynonyms
(5E)5((5(2METHOXY4NITROPHENYL)FURAN2YL)METHYLIDENE)1(4METHYLPHENYL)13DIAZINANE246TRIONE
(5E)6hydroxy5((5(2methoxy4nitrophenyl)furan2yl)methylidene)3(4methylphenyl)pyrimidine24(3H5H)dione
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)(N+)(=O)(O))OC)C(=O)NC2=O
COc1cc(ccc1c1ccc(o1)C=C1C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)(N+)(=O)(O)
InChI=1SC23H17N3O7c1133514(6413)2522(28)18(21(27)2423(25)29)121681019(3316)179715(26(30)31)1120(17)322h312H12H3(H242729)b1812+
MFCD09798424
ZINC000000843321
ZINC843321
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