Vitas-M small molecule compound

(2E)-1-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one

Catalog ID
STK307554
SMILES COc1cc(ccc1OC)C(=O)/C=C/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 C15H16N2O3 MW 272.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O3/c1-17-12(8-9-16-17)5-6-13(18)11-4-7-14(19-2)15(10-11)20-3/h4-10H,1-3H3/b6-5+
InChIKey
MHLFEFSYBSVHGL-AATRIKPKSA-N
Synonyms
1005591-89-8
(2E)1(34dimethoxyphenyl)3(1methyl1Hpyrazol5yl)prop2en1one
(E)1(34DIMETHOXYPHENYL)3(2METHYLPYRAZOL3YL)PROP2EN1ONE
1005591898
CN1C(=CC=N1)C=CC(=O)C2=CC(=C(C=C2)OC)OC
COc1cc(ccc1OC)C(=O)C=Cc1ccnn1C
InChI=1SC15H16N2O3c11712(891617)5613(18)114714(192)15(1011)203h410H13H3b65+
MFCD04051802
ZINC000006827493
ZINC06827493
ZINC6827493

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.