Vitas-M small molecule compound
(4S,7S)-4-(biphenyl-4-yl)-7-(3,4-dimethoxyphenyl)-2-phenyl-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK335270
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2ccc(cc2)c2ccccc2)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 C36H31N3O4 MW 569.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H31N3O4/c1-42-30-18-17-25(21-31(30)43-2)26-19-28-33(29(40)20-26)32(24-15-13-23(14-16-24)22-9-5-3-6-10-22)34-35(37-28)38-39(36(34)41)27-11-7-4-8-12-27/h3-18,21,26,32,37-38H,19-20H2,1-2H3/t26-,32-/m0/s1InChIKey
DNKKBJAVWDGVCG-IEWVHIKDSA-NSynonyms
(4S7S)4(biphenyl4yl)7(34dimethoxyphenyl)2phenyl4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)7(34dimethoxyphenyl)2phenyl4(4phenylphenyl)146789hexahydropyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NN(C4=O)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2ccc(cc2)c2ccccc2)c(=O)n((nH)1)c1ccccc1
InChI=1SC36H31N3O4c14230181725(2131(30)432)26192833(29(40)2026)32(24151323(141624)2295361022)3435(3728)3839(36(34)41)27117481227h3182126323738H1920H212H3t2632m0s1
MFCD13368785
ZINC000102052626
ZINC102052626
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.