Vitas-M small molecule compound

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

Catalog ID
STK307618
SMILES COc1ccc(cc1C(=O)/C=C\c1cnn(c1C)C)OC

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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 C16H18N2O3 MW 286.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O3/c1-11-12(10-17-18(11)2)5-7-15(19)14-9-13(20-3)6-8-16(14)21-4/h5-10H,1-4H3/b7-5-
InChIKey
ZHIGQJLDZOCYFA-ALCCZGGFSA-N
Synonyms
1005592-85-7
(2Z)1(25dimethoxyphenyl)3(15dimethyl1Hpyrazol4yl)prop2en1one
(Z)1(25dimethoxyphenyl)3(15dimethylpyrazol4yl)prop2en1one
1005592857
CC1=C(C=NN1C)C=CC(=O)C2=C(C=CC(=C2)OC)OC
COc1ccc(cc1C(=O)C=Cc1cnn(c1C)C)OC
InChI=1SC16H18N2O3c11112(101718(11)2)5715(19)14913(203)6816(14)214h510H14H3b75
MFCD04051714
ZINC000006527511
ZINC06527511
ZINC6527511

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Available files

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