Vitas-M small molecule compound
5-{(4E)-4-[3-bromo-4-(dimethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid
Catalog ID
STL295962
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(c(c1)Br)N(C)C)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 C20H17BrClN3O3 MW 462.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrClN3O3/c1-11-14(8-12-4-7-18(24(2)3)16(21)9-12)19(26)25(23-11)13-5-6-17(22)15(10-13)20(27)28/h4-10H,1-3H3,(H,27,28)/b14-8+InChIKey
NQQMWMQTNYVNOK-RIYZIHGNSA-NSynonyms
5((4E)4((3bromo4(dimethylamino)phenyl)methylidene)3methyl5oxopyrazol1yl)2chlorobenzoicacid
5((4E)4(3bromo4(dimethylamino)benzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)2chlorobenzoicacid
CC1=NN(C(=O)C1=Cc1ccc(c(c1)Br)N(C)C)c1ccc(c(c1)C(=O)O)Cl
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)N(C)C)Br)C3=CC(=C(C=C3)Cl)C(=O)O
InChI=1SC20H17BrClN3O3c11114(8124718(24(2)3)16(21)912)19(26)25(2311)135617(22)15(1013)20(27)28h410H13H3(H2728)b148+
MFCD28033233
ZINC000100251756
ZINC100251756
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