Vitas-M small molecule compound
5-{(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid
Catalog ID
STL368014
SMILES CC1=NN(C(=O)/C/1=C/c1cc2OCOc2cc1Br)c1ccc(c(c1)C(=O)O)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 C19H12BrClN2O5 MW 463.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12BrClN2O5/c1-9-12(4-10-5-16-17(7-14(10)20)28-8-27-16)18(24)23(22-9)11-2-3-15(21)13(6-11)19(25)26/h2-7H,8H2,1H3,(H,25,26)/b12-4+InChIKey
CRYJHZNYIRFCAK-UUILKARUSA-NSynonyms
5((4E)4((6bromo13benzodioxol5yl)methylidene)3methyl5oxo45dihydro1Hpyrazol1yl)2chlorobenzoicacid
5((4E)4((6BROMO13BENZODIOXOL5YL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)2CHLOROBENZOICACID
5(4((6BROMO13BENZODIOXOL5YL)METHYLENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)2CHLOROBENZOICACID
CC1=NN(C(=O)C1=Cc1cc2OCOc2cc1Br)c1ccc(c(c1)C(=O)O)Cl
CC1=NN(C(=O)C1=CC2=CC3=C(C=C2Br)OCO3)C4=CC(=C(C=C4)Cl)C(=O)O
InChI=1SC19H12BrClN2O5c1912(41051617(714(10)20)2882716)18(24)23(229)112315(21)13(611)19(25)26h27H8H21H3(H2526)b124+
MFCD01359801
ZINC000102570340
ZINC102570340
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