Vitas-M small molecule compound
3-hydroxy-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7,7-dimethyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333447
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1C2=C(Nc3c1c(O)n[nH]3)CC(CC2=O)(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 C19H20N4O6 MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O6/c1-19(2)6-9-14(11(24)7-19)13(15-17(20-9)21-22-18(15)26)8-4-10(23(27)28)16(25)12(5-8)29-3/h4-5,13,25H,6-7H2,1-3H3,(H3,20,21,22,26)InChIKey
NEWNVWSAHCOGOL-UHFFFAOYSA-NSynonyms
3hydroxy4(4hydroxy3methoxy5nitrophenyl)77dimethyl146789hexahydro5Hpyrazolo(34b)quinolin5one
4(4hydroxy3methoxy5nitrophenyl)77dimethyl124689hexahydropyrazolo(34b)quinoline35dione
CC1(CC2=C(C(C3=C(N2)NNC3=O)C4=CC(=C(C(=C4)OC)O)(N+)(=O)(O))C(=O)C1)C
COc1cc(cc(c1O)(N+)(=O)(O))C1C2=C(Nc3c1c(O)n(nH)3)CC(CC2=O)(C)C
InChI=1SC19H20N4O6c119(2)6914(11(24)719)13(1517(209)212218(15)26)8410(23(27)28)16(25)12(58)293h451325H67H213H3(H320212226)
MFCD09963064
ZINC000012348580
ZINC000012348595
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