Vitas-M small molecule compound
(5E)-3-(1,3-benzodioxol-5-yl)-6-hydroxy-5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK612481
SMILES COc1cc(ccc1c1ccc(o1)/C=C/1\C(=NC(=O)N(C1=O)c1ccc2c(c1)OCO2)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 C23H15N3O9 MW 477.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15N3O9/c1-32-19-9-13(26(30)31)2-5-15(19)17-7-4-14(35-17)10-16-21(27)24-23(29)25(22(16)28)12-3-6-18-20(8-12)34-11-33-18/h2-10H,11H2,1H3,(H,24,27,29)/b16-10+InChIKey
HXQOPRWUMDQLCQ-MHWRWJLKSA-NSynonyms
(5E)1(13BENZODIOXOL5YL)5((5(2METHOXY4NITROPHENYL)FURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3(13benzodioxol5yl)6hydroxy5((5(2methoxy4nitrophenyl)furan2yl)methylidene)pyrimidine24(3H5H)dione
COc1cc(ccc1c1ccc(o1)C=C1C(=NC(=O)N(C1=O)c1ccc2c(c1)OCO2)O)(N+)(=O)(O)
InChI=1SC23H15N3O9c13219913(26(30)31)2515(19)177414(3517)101621(27)2423(29)25(22(16)28)12361820(812)34113318h210H11H21H3(H242729)b1610+
MFCD08733620
ZINC000015799433
ZINC15799433
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