Vitas-M small molecule compound
(4E)-2-(3-chlorophenyl)-5-methyl-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK330925
SMILES Clc1cccc(c1)N1N=C(/C(=C\c2ccc(o2)c2ccccc2[N+](=O)[O-])/C1=O)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 C21H14ClN3O4 MW 407.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O4/c1-13-18(21(26)24(23-13)15-6-4-5-14(22)11-15)12-16-9-10-20(29-16)17-7-2-3-8-19(17)25(27)28/h2-12H,1H3/b18-12+InChIKey
ZMKDOSCDTFXBMX-LDADJPATSA-NSynonyms
330841-98-0(4E)2(3chlorophenyl)5methyl4((5(2nitrophenyl)furan2yl)methylidene)24dihydro3Hpyrazol3one
(4E)2(3CHLOROPHENYL)5METHYL4((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)PYRAZOL3ONE
2(3CHLOROPHENYL)4((5(2NITROPHENYL)2FURYL)METHYLENE)5METHYL24DIHYDRO3HPYRAZOL3ONE
330841980
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=CC=C3(N+)(=O)(O))C4=CC(=CC=C4)Cl
Clc1cccc(c1)N1N=C(C(=Cc2ccc(o2)c2ccccc2(N+)(=O)(O))C1=O)C
InChI=1SC21H14ClN3O4c11318(21(26)24(2313)1564514(22)1115)121691020(2916)17723819(17)25(27)28h212H1H3b1812+
MFCD01359770
ZINC000100072137
ZINC100072137
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