Vitas-M small molecule compound
(4E)-2-(3-chlorophenyl)-4-{[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK330491
SMILES Clc1ccc(c(c1)Cl)Cn1nc(c(c1)/C=C/1\C(=NN(C1=O)c1cccc(c1)Cl)C)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 C27H19Cl3N4O MW 521.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19Cl3N4O/c1-17-24(27(35)34(31-17)23-9-5-8-21(28)13-23)12-20-16-33(15-19-10-11-22(29)14-25(19)30)32-26(20)18-6-3-2-4-7-18/h2-14,16H,15H2,1H3/b24-12+InChIKey
QZAOCQBXQMPBNN-WYMPLXKRSA-NSynonyms
(4E)2(3CHLOROPHENYL)4((1((24DICHLOROPHENYL)METHYL)3PHENYLPYRAZOL4YL)METHYLIDENE)5METHYLPYRAZOL3ONE
(4E)2(3chlorophenyl)4((1(24dichlorobenzyl)3phenyl1Hpyrazol4yl)methylidene)5methyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CC2=CN(N=C2C3=CC=CC=C3)CC4=C(C=C(C=C4)Cl)Cl)C5=CC(=CC=C5)Cl
Clc1ccc(c(c1)Cl)Cn1nc(c(c1)C=C1C(=NN(C1=O)c1cccc(c1)Cl)C)c1ccccc1
InChI=1SC27H19Cl3N4Oc11724(27(35)34(3117)2395821(28)1323)12201633(1519101122(29)1425(19)30)3226(20)186324718h21416H15H21H3b2412+
MFCD01359845
ZINC000100072185
ZINC100072185
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