Vitas-M small molecule compound

methyl [(4Z)-4-[(dimethylamino)methylidene]-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate

Catalog ID
STK513721
SMILES COC(=O)CC1=NN(C(=O)/C/1=C\N(C)C)c1ccc(cc1)F

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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 C15H16FN3O3 MW 305.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16FN3O3/c1-18(2)9-12-13(8-14(20)22-3)17-19(15(12)21)11-6-4-10(16)5-7-11/h4-7,9H,8H2,1-3H3/b12-9-
InChIKey
ZPROVEAXVICKGL-XFXZXTDPSA-N
Synonyms

CN(C)C=C1C(=NN(C1=O)C2=CC=C(C=C2)F)CC(=O)OC
COC(=O)CC1=NN(C(=O)C1=CN(C)C)c1ccc(cc1)F
InChI=1SC15H16FN3O3c118(2)91213(814(20)223)1719(15(12)21)116410(16)5711h479H8H213H3b129
methyl((4Z)4((dimethylamino)methylidene)1(4fluorophenyl)5oxo45dihydro1Hpyrazol3yl)acetate
methyl2((4Z)4(dimethylaminomethylidene)1(4fluorophenyl)5oxopyrazol3yl)acetate
MFCD13370458
ZINC000030822973
ZINC30822973

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Available files

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