Vitas-M small molecule compound

methyl 6-amino-5-cyano-4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-methyl-4H-pyran-3-carboxylate

Catalog ID
STK315946
SMILES COC(=O)C1=C(C)OC(=C(C1c1c(C)nn(c1C)c1ccccc1)C#N)N

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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 C20H20N4O3 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3/c1-11-16(12(2)24(23-11)14-8-6-5-7-9-14)18-15(10-21)19(22)27-13(3)17(18)20(25)26-4/h5-9,18H,22H2,1-4H3
InChIKey
UBLGKJQLYZSSPW-UHFFFAOYSA-N
Synonyms
514816-09-2
514816092
CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=C(OC(=C3C(=O)OC)C)N)C#N
InChI=1SC20H20N4O3c11116(12(2)24(2311)148657914)1815(1021)19(22)2713(3)17(18)20(25)264h5918H22H214H3
methyl6amino5cyano4(35dimethyl1phenyl1Hpyrazol4yl)2methyl4Hpyran3carboxylate
METHYL6AMINO5CYANO4(35DIMETHYL1PHENYLPYRAZOL4YL)2METHYL4HPYRAN3CARBOXYLATE
MFCD02174974
ZINC000002758354
ZINC000002758355

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Available files

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