Vitas-M small molecule compound

methyl {(4E)-4-[(dimethylamino)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acetate

Catalog ID
STK150026
SMILES COC(=O)CC1=NN(C(=O)/C/1=C/N(C)C)c1ccccc1

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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 C15H17N3O3 MW 287.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3O3/c1-17(2)10-12-13(9-14(19)21-3)16-18(15(12)20)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/b12-10+
InChIKey
YJUVCIWVONBVGD-ZRDIBKRKSA-N
Synonyms
669753-32-6
669753326
CN(C)C=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC
COC(=O)CC1=NN(C(=O)C1=CN(C)C)c1ccccc1
InChI=1SC15H17N3O3c117(2)101213(914(19)213)1618(15(12)20)117546811h4810H9H213H3b1210+
METHYL((4E)4((DIMETHYLAMINO)METHYLIDENE)5OXO1PHENYL45DIHYDRO1HPYRAZOL3YL)ACETATE
METHYL2((4E)4((DIMETHYLAMINO)METHYLIDENE)5OXO1PHENYLPYRAZOL3YL)ACETATE
METHYL2((4E)4(DIMETHYLAMINOMETHYLIDENE)5OXO1PHENYLPYRAZOL3YL)ACETATE
MFCD05022536
ZINC000001429968
ZINC01429968
ZINC1429968

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Available files

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