Vitas-M small molecule compound

2-[(E)-2-{3-[(2-chloro-6-fluorobenzyl)oxy]-4-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one

Catalog ID
STL358752
SMILES COc1ccc(cc1OCc1c(F)cccc1Cl)/C=C/c1nc(O)c(c(=O)[nH]1)[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 C20H15ClFN3O6 MW 447.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClFN3O6/c1-30-15-7-5-11(6-8-17-23-19(26)18(25(28)29)20(27)24-17)9-16(15)31-10-12-13(21)3-2-4-14(12)22/h2-9H,10H2,1H3,(H2,23,24,26,27)/b8-6+
InChIKey
UCCWGEBVHZOMIN-SOFGYWHQSA-N
Synonyms

2((E)2(3((2chloro6fluorobenzyl)oxy)4methoxyphenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(3((2CHLORO6FLUOROPHENYL)METHOXY)4METHOXYPHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
COC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCC3=C(C=CC=C3Cl)F
COc1ccc(cc1OCc1c(F)cccc1Cl)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC20H15ClFN3O6c130157511(68172319(26)18(25(28)29)20(27)2417)916(15)31101213(21)32414(12)22h29H10H21H3(H223242627)b86+
MFCD06166929
ZINC000009234890
ZINC9234890

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Available files

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