Vitas-M small molecule compound
2-{(Z)-2-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358707
SMILES Clc1ccc(cc1)n1c(C)cc(c1C)/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 C18H15ClN4O4 MW 386.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN4O4/c1-10-9-12(11(2)22(10)14-6-4-13(19)5-7-14)3-8-15-20-17(24)16(23(26)27)18(25)21-15/h3-9H,1-2H3,(H2,20,21,24,25)/b8-3-InChIKey
NPEZYQNEEXKUKJ-BAQGIRSFSA-NSynonyms
2((Z)2(1(4chlorophenyl)25dimethyl1Hpyrrol3yl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((Z)2(1(4CHLOROPHENYL)25DIMETHYLPYRROL3YL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
Clc1ccc(cc1)n1c(C)cc(c1C)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC18H15ClN4O4c110912(11(2)22(10)146413(19)5714)38152017(24)16(23(26)27)18(25)2115h39H12H3(H220212425)b83
MFCD05992647
ZINC000016268384
ZINC16268384
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