Vitas-M small molecule compound
(4R,7S)-4-[4-(dimethylamino)phenyl]-3-hydroxy-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333941
SMILES CN(c1ccc(cc1)[C@H]1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(O)n[nH]2)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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-26(2)14-7-5-12(6-8-14)18-19-15(23-21-20(18)22(28)25-24-21)10-13(11-16(19)27)17-4-3-9-29-17/h3-9,13,18H,10-11H2,1-2H3,(H3,23,24,25,28)/t13-,18-/m0/s1InChIKey
AGPRNUJEBNNVRO-UGSOOPFHSA-NSynonyms
(4R7S)4(4(dimethylamino)phenyl)3hydroxy7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(4(dimethylamino)phenyl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
CN(C)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)NN5
CN(c1ccc(cc1)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2)C
InChI=1SC22H22N4O2Sc126(2)147512(6814)181915(232120(18)22(28)252421)1013(1116(19)27)174392917h391318H1011H212H3(H323242528)t1318m0s1
MFCD13368662
ZINC000018196519
ZINC18196519
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