Vitas-M small molecule compound
(2E)-3-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(1-ethyl-1H-pyrazol-5-yl)prop-2-en-1-one
Catalog ID
STK309524
SMILES COc1ccc(cc1Cn1nc(c(c1C)Cl)C)/C=C/C(=O)c1ccnn1CC
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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 C21H23ClN4O2 MW 398.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN4O2/c1-5-25-18(10-11-23-25)19(27)8-6-16-7-9-20(28-4)17(12-16)13-26-15(3)21(22)14(2)24-26/h6-12H,5,13H2,1-4H3/b8-6+InChIKey
VNXWIPCNCKVJFF-SOFGYWHQSA-NSynonyms
1005676-41-4(2E)3(3((4chloro35dimethyl1Hpyrazol1yl)methyl)4methoxyphenyl)1(1ethyl1Hpyrazol5yl)prop2en1one
(E)3(3((4CHLORO35DIMETHYLPYRAZOL1YL)METHYL)4METHOXYPHENYL)1(2ETHYLPYRAZOL3YL)PROP2EN1ONE
1005676414
CCN1C(=CC=N1)C(=O)C=CC2=CC(=C(C=C2)OC)CN3C(=C(C(=N3)C)Cl)C
COc1ccc(cc1Cn1nc(c(c1C)Cl)C)C=CC(=O)c1ccnn1CC
InChI=1SC21H23ClN4O2c152518(10112325)19(27)86167920(284)17(1216)132615(3)21(22)14(2)2426h612H513H214H3b86+
MFCD04052870
ZINC000006490104
ZINC06490104
ZINC6490104
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