Vitas-M small molecule compound
[(2S,3S)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-oxotetrahydrofuran-2-yl]methyl benzoate (non-preferred name)
Catalog ID
STK693822
SMILES O=C1O[C@@H]([C@H](C1)n1nc(cc1C)C)COC(=O)c1ccccc1
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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 C17H18N2O4 MW 314.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O4/c1-11-8-12(2)19(18-11)14-9-16(20)23-15(14)10-22-17(21)13-6-4-3-5-7-13/h3-8,14-15H,9-10H2,1-2H3/t14-,15+/m0/s1InChIKey
OPUXBKGGQYWSDV-LSDHHAIUSA-NSynonyms
((2S3S)3(35dimethyl1Hpyrazol1yl)5oxotetrahydrofuran2yl)methylbenzoate(nonpreferredname)
((2S3S)3(35dimethylpyrazol1yl)5oxooxolan2yl)methylbenzoate
CC1=CC(=NN1C2CC(=O)OC2COC(=O)C3=CC=CC=C3)C
InChI=1SC17H18N2O4c111812(2)19(1811)14916(20)2315(14)102217(21)136435713h381415H910H212H3t1415+m0s1
MFCD11983255
O=C1O(C@@H)((C@H)(C1)n1nc(cc1C)C)COC(=O)c1ccccc1
ZINC000014987682
ZINC14987682
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