Vitas-M small molecule compound

methyl 2-cyano-3-(5-hydroxy-3-methyl-1H-pyrazol-4-yl)-3-(pyridin-3-yl)propanoate

Catalog ID
STK853288
SMILES N#CC(C(c1c(O)[nH]nc1C)c1cccnc1)C(=O)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 C14H14N4O3 MW 286.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O3/c1-8-11(13(19)18-17-8)12(9-4-3-5-16-7-9)10(6-15)14(20)21-2/h3-5,7,10,12H,1-2H3,(H2,17,18,19)
InChIKey
GNECYJJIQOMFRE-UHFFFAOYSA-N
Synonyms
494794-17-1
2CYANO3(3KETO5METHYL3PYRAZOLIN4YL)3(3PYRIDYL)PROPIONICACIDMETHYLESTER
2CYANO3(3METHYL5OXO12DIHYDROPYRAZOL4YL)3(3PYRIDINYL)PROPANOICACIDMETHYLESTER
494794171
CC1=C(C(=O)NN1)C(C2=CN=CC=C2)C(C#N)C(=O)OC
InChI=1SC14H14N4O3c1811(13(19)18178)12(94351679)10(615)14(20)212h3571012H12H3(H2171819)
METHYL2CYANO3(3HYDROXY5METHYL1HPYRAZOL4YL)3(3PYRIDINYL)PROPANOATE
methyl2cyano3(3hydroxy5methyl1Hpyrazol4yl)3(pyridin3yl)propanoate
METHYL2CYANO3(3METHYL5OXIDANYLIDENE12DIHYDROPYRAZOL4YL)3PYRIDIN3YLPROPANOATE
METHYL2CYANO3(3METHYL5OXO12DIHYDROPYRAZOL4YL)3PYRIDIN3YLPROPANOATE
methyl2cyano3(5hydroxy3methyl1Hpyrazol4yl)3(pyridin3yl)propanoate
MFCD07205034
N#CC(C(c1c(C)(nH)nc1O)c1cccnc1)C(=O)OC
N#CC(C(c1c(O)(nH)nc1C)c1cccnc1)C(=O)OC
ZINC000000614482
ZINC000000614485

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Available files

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