Vitas-M small molecule compound

diethyl [(pyrimidin-2-ylamino)methylidene]propanedioate

Catalog ID
STL331600
SMILES CCOC(=O)C(=CNc1ncccn1)C(=O)OCC

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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 C12H15N3O4 MW 265.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O4/c1-3-18-10(16)9(11(17)19-4-2)8-15-12-13-6-5-7-14-12/h5-8H,3-4H2,1-2H3,(H,13,14,15)
InChIKey
CKTKOLMBPODIBB-UHFFFAOYSA-N
Synonyms
21025-62-7
2(PYRIMIDIN2YLAMINOMETHYLENE)MALONICACIDDIETHYLESTER
21025627
CCOC(=O)C(=CNC1=NC=CC=N1)C(=O)OCC
diethyl((pyrimidin2ylamino)methylidene)propanedioate
DIETHYL2((2PYRIMIDINYLAMINO)METHYLENE)MALONATE
DIETHYL2((PYRIMIDIN2YLAMINO)METHYLENE)MALONATE
DIETHYL2((PYRIMIDIN2YLAMINO)METHYLENE)PROPANE13DIOATE
DIETHYL2((PYRIMIDIN2YLAMINO)METHYLIDENE)PROPANEDIOATE
InChI=1SC12H15N3O4c131810(16)9(11(17)1942)81512136571412h58H34H212H3(H131415)
MFCD02333244
ZINC000100262560
ZINC01772895
ZINC100262560

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Available files

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