Vitas-M small molecule compound
4-[(4R,7S)-7-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-4-yl]benzoic acid
Catalog ID
STK334118
SMILES COc1cc(ccc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2ccc(cc2)C(=O)O)c(n[nH]1)O
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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 C25H23N3O6 MW 461.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O6/c1-33-18-8-7-14(11-19(18)34-2)15-9-16-21(17(29)10-15)20(22-23(26-16)27-28-24(22)30)12-3-5-13(6-4-12)25(31)32/h3-8,11,15,20H,9-10H2,1-2H3,(H,31,32)(H3,26,27,28,30)/t15-,20-/m0/s1InChIKey
AABXANNMCXLMIW-YWZLYKJASA-NSynonyms
4((4R7S)7(34dimethoxyphenyl)3hydroxy5oxo456789hexahydro1Hpyrazolo(34b)quinolin4yl)benzoicacid
4((4S7S)7(34dimethoxyphenyl)35dioxo246789hexahydro1Hpyrazolo(34b)quinolin4yl)benzoicacid
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC=C(C=C5)C(=O)O)C(=O)C2)OC
COc1cc(ccc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2ccc(cc2)C(=O)O)c(n(nH)1)O
InChI=1SC25H23N3O6c133188714(1119(18)342)1591621(17(29)1015)20(2223(2616)272824(22)30)123513(6412)25(31)32h38111520H910H212H3(H3132)(H326272830)t1520m0s1
MFCD13368690
ZINC000102048648
ZINC102048648
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