Vitas-M small molecule compound

methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate

Catalog ID
STK977192
SMILES COC(=O)n1ncc(c1N)C#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 C6H6N4O2 MW 166.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H6N4O2/c1-12-6(11)10-5(8)4(2-7)3-9-10/h3H,8H2,1H3
InChIKey
BCAGGGNPYWRFJL-UHFFFAOYSA-N
Synonyms
220131-57-7
220131577
COC(=O)N1C(=C(C=N1)C#N)N
InChI=1SC6H6N4O2c1126(11)105(8)4(27)3910h3H8H21H3
methyl5amino4cyano1Hpyrazole1carboxylate
METHYL5AMINO4CYANOPYRAZOLE1CARBOXYLATE
MFCD06135640
ZINC000008378332
ZINC08378332
ZINC8378332

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Available files

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