Vitas-M small molecule compound
2,3,4,5-tetrachloro-6-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]benzoic acid
Catalog ID
STK672786
SMILES O=C(c1c(Cl)c(Cl)c(c(c1C(=O)O)Cl)Cl)Nc1c(C)n(n(c1=O)c1ccccc1)C
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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 C19H13Cl4N3O4 MW 489.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13Cl4N3O4/c1-8-16(18(28)26(25(8)2)9-6-4-3-5-7-9)24-17(27)10-11(19(29)30)13(21)15(23)14(22)12(10)20/h3-7H,1-2H3,(H,24,27)(H,29,30)InChIKey
HAJXWOUDTDWEFM-UHFFFAOYSA-NSynonyms
2345tetrachloro6((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)carbamoyl)benzoicacid
2345tetrachloro6((15dimethyl3oxo2phenylpyrazol4yl)carbamoyl)benzoicacid
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O
InChI=1SC19H13Cl4N3O4c1816(18(28)26(25(8)2)9643579)2417(27)1011(19(29)30)13(21)15(23)14(22)12(10)20h37H12H3(H2427)(H2930)
MFCD00567645
ZINC000000805866
ZINC805866
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