Vitas-M small molecule compound
(4R,7S)-3-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333940
SMILES COc1cc(cc(c1O)OC)[C@H]1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(O)n[nH]2
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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 C22H21N3O5S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S/c1-29-14-8-11(9-15(30-2)20(14)27)17-18-12(23-21-19(17)22(28)25-24-21)6-10(7-13(18)26)16-4-3-5-31-16/h3-5,8-10,17,27H,6-7H2,1-2H3,(H3,23,24,25,28)/t10-,17-/m0/s1InChIKey
ZGICCFRYIPCTQR-BTDLBPIBSA-NSynonyms
(4R7S)3hydroxy4(4hydroxy35dimethoxyphenyl)7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(4hydroxy35dimethoxyphenyl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=CC(=CC(=C1O)OC)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)NN5
COc1cc(cc(c1O)OC)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2
InChI=1SC22H21N3O5Sc12914811(915(302)20(14)27)171812(232119(17)22(28)252421)610(713(18)26)164353116h358101727H67H212H3(H323242528)t1017m0s1
MFCD13368661
ZINC000012349334
ZINC12349334
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