Vitas-M small molecule compound
(2E)-3-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one
Catalog ID
STL391736
SMILES COc1ccc(cc1Cn1nc(c(c1C)Cl)C)/C=C/C(=O)c1ccnn1C
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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 C20H21ClN4O2 MW 384.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O2/c1-13-20(21)14(2)25(23-13)12-16-11-15(6-8-19(16)27-4)5-7-18(26)17-9-10-22-24(17)3/h5-11H,12H2,1-4H3/b7-5+InChIKey
WQEYQAOSGNURTB-FNORWQNLSA-NSynonyms
1005562-64-0(2E)3(3((4chloro35dimethyl1Hpyrazol1yl)methyl)4methoxyphenyl)1(1methyl1Hpyrazol5yl)prop2en1one
(E)3(3((4CHLORO35DIMETHYLPYRAZOL1YL)METHYL)4METHOXYPHENYL)1(2METHYLPYRAZOL3YL)PROP2EN1ONE
1005562640
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=CC(=O)C3=CC=NN3C)OC)C)Cl
COc1ccc(cc1Cn1nc(c(c1C)Cl)C)C=CC(=O)c1ccnn1C
InChI=1SC20H21ClN4O2c11320(21)14(2)25(2313)12161115(6819(16)274)5718(26)179102224(17)3h511H12H214H3b75+
MFCD04053184
ZINC000006526443
ZINC06526443
ZINC6526443
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