Vitas-M small molecule compound

(2E)-3-{[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-1-(4-methoxyphenyl)prop-2-en-1-one

Catalog ID
STL391144
SMILES COc1ccc(cc1)C(=O)/C=C/NCc1cnn(c1C)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 C16H19N3O2 MW 285.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O2/c1-12-14(11-18-19(12)2)10-17-9-8-16(20)13-4-6-15(21-3)7-5-13/h4-9,11,17H,10H2,1-3H3/b9-8+
InChIKey
DJNREPKLIYXORP-CMDGGOBGSA-N
Synonyms
1005598-88-8
(2E)3(((15dimethyl1Hpyrazol4yl)methyl)amino)1(4methoxyphenyl)prop2en1one
(E)3((15DIMETHYLPYRAZOL4YL)METHYLAMINO)1(4METHOXYPHENYL)PROP2EN1ONE
1005598888
CC1=C(C=NN1C)CNC=CC(=O)C2=CC=C(C=C2)OC
COc1ccc(cc1)C(=O)C=CNCc1cnn(c1C)C
InChI=1SC16H19N3O2c11214(111819(12)2)10179816(20)134615(213)7513h491117H10H213H3b98+
MFCD04051117
ZINC000006527542
ZINC06527542
ZINC6527542

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Available files

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