Vitas-M small molecule compound
(5Z)-3-(3-chloro-4-methoxyphenyl)-6-hydroxy-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL037538
SMILES COc1ccc(cc1Cl)N1C(=O)N=C(/C(=C/c2ccc(o2)c2ccc(cc2)[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 C22H14ClN3O7 MW 467.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14ClN3O7/c1-32-19-8-6-14(10-17(19)23)25-21(28)16(20(27)24-22(25)29)11-15-7-9-18(33-15)12-2-4-13(5-3-12)26(30)31/h2-11H,1H3,(H,24,27,29)/b16-11-InChIKey
HDTZYPVJYFTREJ-WJDWOHSUSA-NSynonyms
578750-80-8(5Z)1(3CHLORO4METHOXYPHENYL)5((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)3(3chloro4methoxyphenyl)6hydroxy5((5(4nitrophenyl)furan2yl)methylidene)pyrimidine24(3H5H)dione
578750808
COC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC2=O)Cl
COc1ccc(cc1Cl)N1C(=O)N=C(C(=Cc2ccc(o2)c2ccc(cc2)(N+)(=O)(O))C1=O)O
InChI=1SC22H14ClN3O7c132198614(1017(19)23)2521(28)16(20(27)2422(25)29)11157918(3315)122413(5312)26(30)31h211H1H3(H242729)b1611
MFCD04081511
ZINC000009424661
ZINC9424661
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