Vitas-M small molecule compound

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

Catalog ID
STK307130
SMILES COc1cc(/C=C/C(=O)c2ccnn2C)cc(c1OC)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 C16H18N2O4 MW 302.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4/c1-18-12(7-8-17-18)13(19)6-5-11-9-14(20-2)16(22-4)15(10-11)21-3/h5-10H,1-4H3/b6-5+
InChIKey
DPTUBNLERGOHAK-AATRIKPKSA-N
Synonyms
1005612-10-1
(2E)1(1methyl1Hpyrazol5yl)3(345trimethoxyphenyl)prop2en1one
(E)1(2METHYLPYRAZOL3YL)3(345TRIMETHOXYPHENYL)PROP2EN1ONE
1005612101
CN1C(=CC=N1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC
COc1cc(C=CC(=O)c2ccnn2C)cc(c1OC)OC
InChI=1SC16H18N2O4c11812(781718)13(19)6511914(202)16(224)15(1011)213h510H14H3b65+
MFCD04130480
ZINC000006925468
ZINC06925468
ZINC6925468

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Available files

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