Vitas-M small molecule compound
1-benzyl-4-(2-hydroxyethyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid
Catalog ID
STL146716
SMILES OCCC1C(=O)N(N=C1C(=O)O)Cc1ccccc1
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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 C13H14N2O4 MW 262.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O4/c16-7-6-10-11(13(18)19)14-15(12(10)17)8-9-4-2-1-3-5-9/h1-5,10,16H,6-8H2,(H,18,19)InChIKey
GXVIJYAPFGASAH-UHFFFAOYSA-NSynonyms
1245569-95-21245569952
1benzyl4(2hydroxyethyl)5oxo45dihydro1Hpyrazole3carboxylicacid
1benzyl4(2hydroxyethyl)5oxo4Hpyrazole3carboxylicacid
4(2HYDROXYETHYL)5OXO1BENZYL2PYRAZOLINE3CARBOXYLICACID
C1=CC=C(C=C1)CN2C(=O)C(C(=N2)C(=O)O)CCO
InChI=1SC13H14N2O4c16761011(13(18)19)1415(12(10)17)89421359h151016H68H2(H1819)
MFCD17430433
ZINC000049538551
ZINC000100484797
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