Vitas-M small molecule compound
methyl 4-[5-nitro-3,6-dioxo-1-(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
Catalog ID
STL434425
SMILES COC(=O)c1ccc(cc1)C1C([N+](=O)[O-])C(=O)Nc2c1c(=O)[nH]n2C(C)C
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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 C17H18N4O6 MW 374.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O6/c1-8(2)20-14-12(15(22)19-20)11(13(21(25)26)16(23)18-14)9-4-6-10(7-5-9)17(24)27-3/h4-8,11,13H,1-3H3,(H,18,23)(H,19,22)InChIKey
DBWFIJXTLAZRHC-UHFFFAOYSA-NSynonyms
CC(C)N1C2=C(C(C(C(=O)N2)(N+)(=O)(O))C3=CC=C(C=C3)C(=O)OC)C(=O)N1
COC(=O)c1ccc(cc1)C1C((N+)(=O)(O))C(=O)Nc2c1c(=O)(nH)n2C(C)C
InChI=1SC17H18N4O6c18(2)201412(15(22)1920)11(13(21(25)26)16(23)1814)94610(759)17(24)273h481113H13H3(H1823)(H1922)
methyl4(5nitro36dioxo1(propan2yl)234567hexahydro1Hpyrazolo(34b)pyridin4yl)benzoate
methyl4(5nitro36dioxo1propan2yl2457tetrahydropyrazolo(34b)pyridin4yl)benzoate
MFCD26098832
ZINC000100255121
ZINC000100255135
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