Vitas-M small molecule compound

3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid

Catalog ID
STK301732
SMILES Cn1nc(cc1C(=O)O)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 C8H10N2O4 MW 198.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H10N2O4/c1-3-14-8(13)5-4-6(7(11)12)10(2)9-5/h4H,3H2,1-2H3,(H,11,12)
InChIKey
YYGMEUGJPKGHBP-UHFFFAOYSA-N
Synonyms
199480-36-9
199480369
1HPYRAZOLE35DICARBOXYLICACID1METHYL3ETHYLESTER
3(ethoxycarbonyl)1methyl1Hpyrazole5carboxylicacid
3(ETHOXYCARBONYL)1METHYLPYRAZOLE5CARBOXYLICACID
5(ETHOXYCARBONYL)2METHYLPYRAZOLE3CARBOXYLICACID
5ETHOXYCARBONYL2METHYLPYRAZOLE3CARBOXYLICACID
CCOC(=O)C1=NN(C(=C1)C(=O)O)C
InChI=1SC8H10N2O4c13148(13)546(7(11)12)10(2)95h4H3H212H3(H1112)
MFCD03419335
ZINC000000373192
ZINC373192

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Available files

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