Vitas-M small molecule compound
5-nitro-1-(propan-2-yl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,5H)-dione
Catalog ID
STL434384
SMILES COc1cc(cc(c1OC)OC)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 C18H22N4O7 MW 406.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O7/c1-8(2)21-16-13(17(23)20-21)12(14(22(25)26)18(24)19-16)9-6-10(27-3)15(29-5)11(7-9)28-4/h6-8,12,14H,1-5H3,(H,19,24)(H,20,23)InChIKey
ZFLODGGQURYOIA-UHFFFAOYSA-NSynonyms
5nitro1(propan2yl)4(345trimethoxyphenyl)47dihydro1Hpyrazolo(34b)pyridine36(2H5H)dione
5nitro1propan2yl4(345trimethoxyphenyl)2457tetrahydropyrazolo(34b)pyridine36dione
CC(C)N1C2=C(C(C(C(=O)N2)(N+)(=O)(O))C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N1
COc1cc(cc(c1OC)OC)C1C((N+)(=O)(O))C(=O)Nc2c1c(=O)(nH)n2C(C)C
InChI=1SC18H22N4O7c18(2)211613(17(23)2021)12(14(22(25)26)18(24)1916)9610(273)15(295)11(79)284h681214H15H3(H1924)(H2023)
MFCD26098792
ZINC000100254703
ZINC000100254712
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