Vitas-M small molecule compound

methyl 1-(3-methoxy-3-oxopropyl)-1H-pyrazole-4-carboxylate

Catalog ID
STL414699
SMILES COC(=O)CCn1ncc(c1)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 C9H12N2O4 MW 212.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H12N2O4/c1-14-8(12)3-4-11-6-7(5-10-11)9(13)15-2/h5-6H,3-4H2,1-2H3
InChIKey
DPOXEJFLMYAMHO-UHFFFAOYSA-N
Synonyms
1174836-98-6
1174836986
COC(=O)CCN1C=C(C=N1)C(=O)OC
InChI=1SC9H12N2O4c1148(12)341167(51011)9(13)152h56H34H212H3
methyl1(3methoxy3oxopropyl)1Hpyrazole4carboxylate
methyl1(3methoxy3oxopropyl)pyrazole4carboxylate
METHYL3(4(METHOXYCARBONYL)PYRAZOLYL)PROPANOATE
MFCD12548030
ZINC000036644427
ZINC36644427

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Available files

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