Vitas-M small molecule compound
2-[(Z)-2-{3-[(4-chlorobenzyl)oxy]phenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358745
SMILES Clc1ccc(cc1)COc1cccc(c1)/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 C19H14ClN3O5 MW 399.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClN3O5/c20-14-7-4-13(5-8-14)11-28-15-3-1-2-12(10-15)6-9-16-21-18(24)17(23(26)27)19(25)22-16/h1-10H,11H2,(H2,21,22,24,25)/b9-6-InChIKey
YKRRCSOQGXOKKP-TWGQIWQCSA-NSynonyms
2((Z)2(3((4chlorobenzyl)oxy)phenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((Z)2(3((4CHLOROPHENYL)METHOXY)PHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
Clc1ccc(cc1)COc1cccc(c1)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC19H14ClN3O5c20147413(5814)11281531212(1015)69162118(24)17(23(26)27)19(25)2216h110H11H2(H221222425)b96
MFCD05992619
ZINC000016361586
ZINC16361586
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