Vitas-M small molecule compound
(2E)-3-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STK309275
SMILES COc1ccc(cc1Cn1nc(c(c1C)Cl)C)/C=C/C(=O)c1cn(nc1C)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 C21H23ClN4O2 MW 398.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN4O2/c1-13-18(12-25(4)23-13)19(27)8-6-16-7-9-20(28-5)17(10-16)11-26-15(3)21(22)14(2)24-26/h6-10,12H,11H2,1-5H3/b8-6+InChIKey
QWEDYBJNWFBJMQ-SOFGYWHQSA-NSynonyms
1005644-26-7(2E)3(3((4chloro35dimethyl1Hpyrazol1yl)methyl)4methoxyphenyl)1(13dimethyl1Hpyrazol4yl)prop2en1one
(E)3(3((4CHLORO35DIMETHYLPYRAZOL1YL)METHYL)4METHOXYPHENYL)1(13DIMETHYLPYRAZOL4YL)PROP2EN1ONE
1005644267
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=CC(=O)C3=CN(N=C3C)C)OC)C)Cl
COc1ccc(cc1Cn1nc(c(c1C)Cl)C)C=CC(=O)c1cn(nc1C)C
InChI=1SC21H23ClN4O2c11318(1225(4)2313)19(27)86167920(285)17(1016)112615(3)21(22)14(2)2426h61012H11H215H3b86+
MFCD04133750
ZINC000006921423
ZINC06921423
ZINC6921423
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