Vitas-M small molecule compound

6-{(E)-2-[3-methoxy-4-(2-phenylethoxy)phenyl]ethenyl}-5-nitropyrimidine-2,4-diol

Catalog ID
STL432839
SMILES COc1cc(ccc1OCCc1ccccc1)/C=C/c1nc(O)nc(c1[N+](=O)[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 C21H19N3O6 MW 409.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O6/c1-29-18-13-15(7-9-16-19(24(27)28)20(25)23-21(26)22-16)8-10-17(18)30-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,22,23,25,26)/b9-7+
InChIKey
IQCOYHDUIDQJPA-VQHVLOKHSA-N
Synonyms

6((E)2(3methoxy4(2phenylethoxy)phenyl)ethenyl)5nitro1Hpyrimidine24dione
6((E)2(3methoxy4(2phenylethoxy)phenyl)ethenyl)5nitropyrimidine24diol
6((E)2(3METHOXY4PHENETHYLOXYPHENYL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
6((E)2(3METHOXY4PHENETHYLOXYPHENYL)VINYL)5NITROPYRIMIDINE24DIOL
COC1=C(C=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))OCCC3=CC=CC=C3
COc1cc(ccc1OCCc1ccccc1)C=Cc1nc(O)nc(c1(N+)(=O)(O))O
InChI=1SC21H19N3O6c129181315(791619(24(27)28)20(25)2321(26)2216)81017(18)301211145324614h21013H1112H21H3(H222232526)b97+
MFCD04231898
ZINC000004173506
ZINC4173506

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Available files

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