Vitas-M small molecule compound
2-[(Z)-2-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358691
SMILES COc1cc(ccc1OCc1ccc(cc1)Cl)/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 C20H16ClN3O6 MW 429.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O6/c1-29-16-10-12(4-8-15(16)30-11-13-2-6-14(21)7-3-13)5-9-17-22-19(25)18(24(27)28)20(26)23-17/h2-10H,11H2,1H3,(H2,22,23,25,26)/b9-5-InChIKey
CCTIYJANASKVHL-UITAMQMPSA-NSynonyms
2((1Z)2(4((4CHLOROPHENYL)METHOXY)3METHOXYPHENYL)VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
2((Z)2(4((4chlorobenzyl)oxy)3methoxyphenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((Z)2(4((4CHLOROPHENYL)METHOXY)3METHOXYPHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
COC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCC3=CC=C(C=C3)Cl
COc1cc(ccc1OCc1ccc(cc1)Cl)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC20H16ClN3O6c129161012(4815(16)3011132614(21)7313)59172219(25)18(24(27)28)20(26)2317h210H11H21H3(H222232526)b95
MFCD06010615
ZINC000013482099
ZINC13482099
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