Vitas-M small molecule compound
(4S,7S)-4-(2,5-dimethoxyphenyl)-2-phenyl-7-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK334827
SMILES COc1ccc(cc1[C@H]1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(=O)n([nH]2)c1ccccc1)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 C28H25N3O4S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S/c1-34-18-10-11-22(35-2)19(15-18)24-25-20(13-16(14-21(25)32)23-9-6-12-36-23)29-27-26(24)28(33)31(30-27)17-7-4-3-5-8-17/h3-12,15-16,24,29-30H,13-14H2,1-2H3/t16-,24-/m0/s1InChIKey
DAQAOKRVZSVTGR-FYSMJZIKSA-NSynonyms
(4S7S)4(25dimethoxyphenyl)2phenyl7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)4(25dimethoxyphenyl)2phenyl7thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
COC1=CC(=C(C=C1)OC)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)N(N5)C6=CC=CC=C6
COc1ccc(cc1(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(=O)n((nH)2)c1ccccc1)OC
InChI=1SC28H25N3O4Sc13418101122(352)19(1518)242520(1316(1421(25)32)2396123623)292726(24)28(33)31(3027)177435817h3121516242930H1314H212H3t1624m0s1
MFCD13368748
ZINC000018197665
ZINC18197665
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