Vitas-M small molecule compound
7-(3,4-dimethoxyphenyl)-3-hydroxy-4-(1H-imidazol-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334441
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1c(C2c2[nH]ccn2)c(n[nH]1)O
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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 C21H21N5O4 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4/c1-29-14-4-3-10(9-15(14)30-2)11-7-12-16(13(27)8-11)17(19-22-5-6-23-19)18-20(24-12)25-26-21(18)28/h3-6,9,11,17H,7-8H2,1-2H3,(H,22,23)(H3,24,25,26,28)InChIKey
AJJLIVZHYKPYQU-UHFFFAOYSA-NSynonyms
7(34dimethoxyphenyl)3hydroxy4(1Himidazol2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
7(34dimethoxyphenyl)4(1Himidazol2yl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=NC=CN5)C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1c(C2c2(nH)ccn2)c(n(nH)1)O
InChI=1SC21H21N5O4c129144310(915(14)302)1171216(13(27)811)17(1922562319)1820(2412)252621(18)28h3691117H78H212H3(H2223)(H324252628)
MFCD09963521
ZINC000018197117
ZINC000018197122
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