Vitas-M small molecule compound
(4S,7S)-7-(3,4-dimethoxyphenyl)-2-phenyl-4-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK335283
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c(C2c2cccs2)c(=O)n([nH]1)c1ccccc1
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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 C28H25N3O4S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S/c1-34-21-11-10-16(15-22(21)35-2)17-13-19-24(20(32)14-17)25(23-9-6-12-36-23)26-27(29-19)30-31(28(26)33)18-7-4-3-5-8-18/h3-12,15,17,25,29-30H,13-14H2,1-2H3/t17-,25?/m0/s1InChIKey
LIOJHLYHSAJKFK-LFUZPPSTSA-NSynonyms
(4S7S)7(34dimethoxyphenyl)2phenyl4(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(7S)7(34dimethoxyphenyl)2phenyl4thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NN(C4=O)C5=CC=CC=C5)C6=CC=CS6)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c(C2c2cccs2)c(=O)n((nH)1)c1ccccc1
InChI=1SC28H25N3O4Sc13421111016(1522(21)352)17131924(20(32)1417)25(2396123623)2627(2919)3031(28(26)33)187435818h3121517252930H1314H212H3t1725?m0s1
MFCD13368792
ZINC000018198571
ZINC000018198573
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