Vitas-M small molecule compound
3-hydroxy-7,7-dimethyl-4-[4-(prop-2-en-1-yloxy)phenyl]-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333250
SMILES C=CCOc1ccc(cc1)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 C21H23N3O3 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3/c1-4-9-27-13-7-5-12(6-8-13)16-17-14(10-21(2,3)11-15(17)25)22-19-18(16)20(26)24-23-19/h4-8,16H,1,9-11H2,2-3H3,(H3,22,23,24,26)InChIKey
PAVNCCIQFMHCJD-UHFFFAOYSA-NSynonyms
3hydroxy77dimethyl4(4(prop2en1yloxy)phenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one77dimethyl4(4prop2enoxyphenyl)124689hexahydropyrazolo(34b)quinoline35dione
C=CCOc1ccc(cc1)C1C2=C(Nc3c1c(O)n(nH)3)CC(CC2=O)(C)C
CC1(CC2=C(C(C3=C(N2)NNC3=O)C4=CC=C(C=C4)OCC=C)C(=O)C1)C
Registry IDs
MFCD09962919ZINC000012347636
ZINC000012347645
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