Vitas-M small molecule compound
(2E)-1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-3-[3-(2-methylpropoxy)phenyl]prop-2-en-1-one
Catalog ID
STL391610
SMILES CC(COc1cccc(c1)/C=C/C(=O)c1nn(cc1Cl)C)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 C17H19ClN2O2 MW 318.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClN2O2/c1-12(2)11-22-14-6-4-5-13(9-14)7-8-16(21)17-15(18)10-20(3)19-17/h4-10,12H,11H2,1-3H3/b8-7+InChIKey
FCKCUAYUCIZERS-BQYQJAHWSA-NSynonyms
1005616-74-9(2E)1(4chloro1methyl1Hpyrazol3yl)3(3(2methylpropoxy)phenyl)prop2en1one
(E)1(4chloro1methylpyrazol3yl)3(3(2methylpropoxy)phenyl)prop2en1one
1005616749
CC(C)COC1=CC=CC(=C1)C=CC(=O)C2=NN(C=C2Cl)C
CC(COc1cccc(c1)C=CC(=O)c1nn(cc1Cl)C)C
InChI=1SC17H19ClN2O2c112(2)11221464513(914)7816(21)1715(18)1020(3)1917h41012H11H213H3b87+
MFCD04136101
ZINC000017054824
ZINC17054824
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