Vitas-M small molecule compound
(4R,7S)-4-(2,5-dimethoxyphenyl)-3-hydroxy-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333914
SMILES COc1ccc(c(c1)[C@H]1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(O)n[nH]2)OC
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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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-28-12-5-6-16(29-2)13(10-12)18-19-14(23-21-20(18)22(27)25-24-21)8-11(9-15(19)26)17-4-3-7-30-17/h3-7,10-11,18H,8-9H2,1-2H3,(H3,23,24,25,27)/t11-,18-/m0/s1InChIKey
HWLSHIRGKVZAHB-VOJFVSQTSA-NSynonyms
(4R7S)4(25dimethoxyphenyl)3hydroxy7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(25dimethoxyphenyl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=CC(=C(C=C1)OC)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)NN5
COc1ccc(c(c1)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2)OC
InChI=1SC22H21N3O4Sc128125616(292)13(1012)181914(232120(18)22(27)252421)811(915(19)26)174373017h37101118H89H212H3(H323242527)t1118m0s1
MFCD13368650
ZINC000018196488
ZINC18196488
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