Vitas-M small molecule compound
3-hydroxy-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333448
SMILES O=C1CC(C)(C)CC2=C1C(c1c(N2)[nH]nc1O)c1ccccc1C(F)(F)F
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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 C19H18F3N3O2 MW 377.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F3N3O2/c1-18(2)7-11-14(12(26)8-18)13(15-16(23-11)24-25-17(15)27)9-5-3-4-6-10(9)19(20,21)22/h3-6,13H,7-8H2,1-2H3,(H3,23,24,25,27)InChIKey
TXHJHVAEDJFVTF-UHFFFAOYSA-NSynonyms
3hydroxy77dimethyl4(2(trifluoromethyl)phenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
77dimethyl4(2(trifluoromethyl)phenyl)124689hexahydropyrazolo(34b)quinoline35dione
CC1(CC2=C(C(C3=C(N2)NNC3=O)C4=CC=CC=C4C(F)(F)F)C(=O)C1)C
InChI=1SC19H18F3N3O2c118(2)71114(12(26)818)13(1516(2311)242517(15)27)9534610(9)19(2021)22h3613H78H212H3(H323242527)
MFCD09963065
O=C1CC(C)(C)CC2=C1C(c1c(N2)(nH)nc1O)c1ccccc1C(F)(F)F
ZINC000018195838
ZINC000018195840
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