Vitas-M small molecule compound
5-[(4Z)-4-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid
Catalog ID
STL431898
SMILES Brc1ccc(cc1)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)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 C22H14BrClN2O4 MW 485.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrClN2O4/c1-12-17(11-16-7-9-20(30-16)13-2-4-14(23)5-3-13)21(27)26(25-12)15-6-8-19(24)18(10-15)22(28)29/h2-11H,1H3,(H,28,29)/b17-11-InChIKey
XJSXZPGKPAMVRK-BOPFTXTBSA-NSynonyms
5((4Z)4((5(4bromophenyl)furan2yl)methylidene)3methyl5oxo45dihydro1Hpyrazol1yl)2chlorobenzoicacid
5((4Z)4((5(4BROMOPHENYL)FURAN2YL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)2CHLOROBENZOICACID
5(4((5(4BROMOPHENYL)(2FURYL))METHYLENE)3METHYL5OXO(12DIAZOLINYL))2CHLOROBENZOICACID
Brc1ccc(cc1)c1ccc(o1)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)Br)C4=CC(=C(C=C4)Cl)C(=O)O
InChI=1SC22H14BrClN2O4c11217(11167920(3016)132414(23)5313)21(27)26(2512)156819(24)18(1015)22(28)29h211H1H3(H2829)b1711
MFCD01648486
ZINC000100147504
ZINC100147504
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