Vitas-M small molecule compound
4-(2-fluorophenyl)-3-hydroxy-7,7-dimethyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333456
SMILES O=C1CC(C)(C)CC2=C1C(c1ccccc1F)c1c(N2)[nH]nc1O
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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 C18H18FN3O2 MW 327.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18FN3O2/c1-18(2)7-11-14(12(23)8-18)13(9-5-3-4-6-10(9)19)15-16(20-11)21-22-17(15)24/h3-6,13H,7-8H2,1-2H3,(H3,20,21,22,24)InChIKey
VROWFWQGPKMLPZ-UHFFFAOYSA-NSynonyms
4(2fluorophenyl)3hydroxy77dimethyl146789hexahydro5Hpyrazolo(34b)quinolin5one
4(2fluorophenyl)77dimethyl124689hexahydropyrazolo(34b)quinoline35dione
CC1(CC2=C(C(C3=C(N2)NNC3=O)C4=CC=CC=C4F)C(=O)C1)C
InChI=1SC18H18FN3O2c118(2)71114(12(23)818)13(9534610(9)19)1516(2011)212217(15)24h3613H78H212H3(H320212224)
MFCD09963073
O=C1CC(C)(C)CC2=C1C(c1ccccc1F)c1c(N2)(nH)nc1O
ZINC000012348632
ZINC000012348642
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