Vitas-M small molecule compound
(5-bromofuran-2-yl)[3-(3,4-dimethoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Catalog ID
STK998721
SMILES COc1cc(ccc1OC)C1=NN(C(C1)c1cccc(c1)[N+](=O)[O-])C(=O)c1ccc(o1)Br
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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 C22H18BrN3O6 MW 500.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O6/c1-30-18-7-6-13(11-20(18)31-2)16-12-17(14-4-3-5-15(10-14)26(28)29)25(24-16)22(27)19-8-9-21(23)32-19/h3-11,17H,12H2,1-2H3InChIKey
BZNFWNJBQHXZEJ-UHFFFAOYSA-NSynonyms
383902-59-8(5bromofuran2yl)(3(34dimethoxyphenyl)5(3nitrophenyl)45dihydro1Hpyrazol1yl)methanone
(5BROMOFURAN2YL)(5(34DIMETHOXYPHENYL)3(3NITROPHENYL)34DIHYDROPYRAZOL2YL)METHANONE
383902598
COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C4=CC=C(O4)Br)OC
COc1cc(ccc1OC)C1=NN(C(C1)c1cccc(c1)(N+)(=O)(O))C(=O)c1ccc(o1)Br
InChI=1SC22H18BrN3O6c130187613(1120(18)312)161217(1443515(1014)26(28)29)25(2416)22(27)198921(23)3219h31117H12H212H3
MFCD03283926
ZINC000001077199
ZINC000001077200
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