Vitas-M small molecule compound

ethyl 4-{(4Z)-4-[3-bromo-4-(dimethylamino)benzylidene]-3-hydroxy-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate

Catalog ID
STL507680
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(c(c2)Br)N(C)C)/C1=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 C21H20BrN3O4 MW 458.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O4/c1-4-29-21(28)14-6-8-15(9-7-14)25-20(27)16(19(26)23-25)11-13-5-10-18(24(2)3)17(22)12-13/h5-12H,4H2,1-3H3,(H,23,26)/b16-11-
InChIKey
ATXNEARNPPRMRP-WJDWOHSUSA-N
Synonyms

6174736
ethyl4((4~(Z))4((3bromo4(dimethylamino)phenyl)methylidene)35dioxopyrazolidin1yl)benzoate
ETHYL4((4Z)4((3BROMO4(DIMETHYLAMINO)PHENYL)METHYLIDENE)35DIOXOPYRAZOLIDIN1YL)BENZOATE
ETHYL4((4Z)4(3BROMO4(DIMETHYLAMINO)BENZYLIDENE)35DIOXOPYRAZOLIDIN1YL)BENZOATE
ethyl4((4Z)4(3bromo4(dimethylamino)benzylidene)3hydroxy5oxo45dihydro1Hpyrazol1yl)benzoate
InChI=1SC21H20BrN3O4c142921(28)146815(9714)2520(27)16(19(26)2325)111351018(24(2)3)17(22)1213h512H4H213H3(H2326)b1611
MFCD31615387
ZINC000008660799
ZINC8660799

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Available files

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