Vitas-M small molecule compound

(5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(3,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK176881
SMILES Cc1cc(C)cc(c1)N1C(=O)NC(=O)/C(=C\c2ccc(o2)c2cc(ccc2Cl)[N+](=O)[O-])/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 C23H16ClN3O6 MW 465.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN3O6/c1-12-7-13(2)9-15(8-12)26-22(29)18(21(28)25-23(26)30)11-16-4-6-20(33-16)17-10-14(27(31)32)3-5-19(17)24/h3-11H,1-2H3,(H,25,28,30)/b18-11+
InChIKey
FCVJUTHABUALHL-WOJGMQOQSA-N
Synonyms

(5E)5((5(2CHLORO5NITROPHENYL)FURAN2YL)METHYLIDENE)1(35DIMETHYLPHENYL)13DIAZINANE246TRIONE
(5E)5((5(2CHLORO5NITROPHENYL)FURAN2YL)METHYLIDENE)1(35DIMETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
(5E)5((5(2CHLORO5NITROPHENYL)FURAN2YL)METHYLIDENE)3(35DIMETHYLPHENYL)6HYDROXYPYRIMIDINE24(3H5H)DIONE
(E)5((5(2chloro5nitrophenyl)furan2yl)methylene)1(35dimethylphenyl)pyrimidine246(1H3H5H)trione
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C(=O)NC2=O)C
Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)(N+)(=O)(O))C1=O
InChI=1SC23H16ClN3O6c112713(2)915(812)2622(29)18(21(28)2523(26)30)11164620(3316)171014(27(31)32)3519(17)24h311H12H3(H252830)b1811+
MFCD01541155
ZINC13571010

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Available files

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