Vitas-M small molecule compound
(2E)-3-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STL396019
SMILES COc1ccc(cc1Cn1nc(c(c1C)Cl)C)/C=C/C(=O)c1cnn(c1C)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/c1-13-21(22)15(3)26(24-13)12-17-10-16(7-9-20(17)28-5)6-8-19(27)18-11-23-25(4)14(18)2/h6-11H,12H2,1-5H3/b8-6+InChIKey
KIFUPCNYDSOUSK-SOFGYWHQSA-NSynonyms
1005563-01-8(2E)3(3((4CHLORO35DIMETHYL1HPYRAZOL1YL)METHYL)4METHOXYPHENYL)1(15DIMETHYL1HPYRAZOL4YL)PROP2EN1ONE
(E)3(3((4CHLORO35DIMETHYLPYRAZOL1YL)METHYL)4METHOXYPHENYL)1(15DIMETHYLPYRAZOL4YL)PROP2EN1ONE
1005563018
CC1=C(C=NN1C)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)c1cnn(c1C)C
InChI=1SC21H23ClN4O2c11321(22)15(3)26(2413)12171016(7920(17)285)6819(27)18112325(4)14(18)2h611H12H215H3b86+
MFCD04133820
ZINC000006921022
ZINC06921022
ZINC6921022
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