Vitas-M small molecule compound
2-(3-chlorophenyl)-4-{(Z)-[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STL507457
SMILES Clc1cccc(c1)N1N=C(/C(=C/c2c(C)[nH]n(c2=O)c2cccc(c2)Cl)/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 C21H16Cl2N4O2 MW 427.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2N4O2/c1-12-18(20(28)26(24-12)16-7-3-5-14(22)9-16)11-19-13(2)25-27(21(19)29)17-8-4-6-15(23)10-17/h3-11,24H,1-2H3/b19-11-InChIKey
JATDBPDZPOLEKY-ODLFYWEKSA-NSynonyms
2(3chlorophenyl)4((Z)(1(3chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)5methyl12dihydro3Hpyrazol3one
InChI=1SC21H16Cl2N4O2c11218(20(28)26(2412)1673514(22)916)111913(2)2527(21(19)29)1784615(23)1017h31124H12H3b1911
MFCD31615141
ZINC000136476296
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