Vitas-M small molecule compound
(2Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STL403297
SMILES Cn1nc(c(c1)/C=C\C(=O)c1ccc2c(c1)OCCO2)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 C16H16N2O3 MW 284.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3/c1-11-13(10-18(2)17-11)3-5-14(19)12-4-6-15-16(9-12)21-8-7-20-15/h3-6,9-10H,7-8H2,1-2H3/b5-3-InChIKey
IOXQOHDCFSHLPY-HYXAFXHYSA-NSynonyms
1005610-58-1(2Z)1(23dihydro14benzodioxin6yl)3(13dimethyl1Hpyrazol4yl)prop2en1one
(Z)1(23dihydro14benzodioxin6yl)3(13dimethylpyrazol4yl)prop2en1one
1005610581
CC1=NN(C=C1C=CC(=O)C2=CC3=C(C=C2)OCCO3)C
Cn1nc(c(c1)C=CC(=O)c1ccc2c(c1)OCCO2)C
InChI=1SC16H16N2O3c11113(1018(2)1711)3514(19)12461516(912)21872015h36910H78H212H3b53
MFCD05666929
ZINC000017009181
ZINC17009181
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