Vitas-M small molecule compound
4-(2,3-dichlorophenyl)-3-hydroxy-7,7-dimethyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333261
SMILES O=C1CC(C)(C)CC2=C1C(c1cccc(c1Cl)Cl)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 C18H17Cl2N3O2 MW 378.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17Cl2N3O2/c1-18(2)6-10-13(11(24)7-18)12(8-4-3-5-9(19)15(8)20)14-16(21-10)22-23-17(14)25/h3-5,12H,6-7H2,1-2H3,(H3,21,22,23,25)InChIKey
IGFQVAWZFUOCRQ-UHFFFAOYSA-NSynonyms
4(23dichlorophenyl)3hydroxy77dimethyl146789hexahydro5Hpyrazolo(34b)quinolin5one
4(23dichlorophenyl)77dimethyl124689hexahydropyrazolo(34b)quinoline35dione
CC1(CC2=C(C(C3=C(N2)NNC3=O)C4=C(C(=CC=C4)Cl)Cl)C(=O)C1)C
InChI=1SC18H17Cl2N3O2c118(2)61013(11(24)718)12(84359(19)15(8)20)1416(2110)222317(14)25h3512H67H212H3(H321222325)
MFCD09962930
O=C1CC(C)(C)CC2=C1C(c1cccc(c1Cl)Cl)c1c(N2)(nH)nc1O
ZINC000018195597
ZINC000018195599
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