Vitas-M small molecule compound
(4Z)-4-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL431284
SMILES CC1=NN(C(=O)/C/1=C\c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])c1ccccc1
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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 C21H14BrN3O4 MW 452.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrN3O4/c1-13-18(21(26)24(23-13)14-5-3-2-4-6-14)12-16-8-10-20(29-16)17-9-7-15(25(27)28)11-19(17)22/h2-12H,1H3/b18-12-InChIKey
MEPZRTAYTIAGIG-PDGQHHTCSA-NSynonyms
(4Z)4((5(2bromo4nitrophenyl)furan2yl)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4Z)4((5(2bromo4nitrophenyl)furan2yl)methylidene)5methyl2phenylpyrazol3one
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccc(cc1Br)(N+)(=O)(O))c1ccccc1
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=C(C=C3)(N+)(=O)(O))Br)C4=CC=CC=C4
InChI=1SC21H14BrN3O4c11318(21(26)24(2313)145324614)121681020(2916)179715(25(27)28)1119(17)22h212H1H3b1812
MFCD01136308
ZINC000032193802
ZINC32193802
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