Vitas-M small molecule compound
2-[(E)-2-{5-chloro-2-[(3-chlorobenzyl)oxy]phenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358736
SMILES Clc1ccc(c(c1)/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-])OCc1cccc(c1)Cl
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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 C19H13Cl2N3O5 MW 434.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13Cl2N3O5/c20-13-3-1-2-11(8-13)10-29-15-6-5-14(21)9-12(15)4-7-16-22-18(25)17(24(27)28)19(26)23-16/h1-9H,10H2,(H2,22,23,25,26)/b7-4+InChIKey
OZJHFPIKURYSMO-QPJJXVBHSA-NSynonyms
2((E)2(5chloro2((3chlorobenzyl)oxy)phenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(5CHLORO2((3CHLOROPHENYL)METHOXY)PHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
C1=CC(=CC(=C1)Cl)COC2=C(C=C(C=C2)Cl)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
Clc1ccc(c(c1)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O))OCc1cccc(c1)Cl
InChI=1SC19H13Cl2N3O5c201331211(813)1029156514(21)912(15)47162218(25)17(24(27)28)19(26)2316h19H10H2(H222232526)b74+
MFCD06166969
ZINC000015009295
ZINC15009295
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