Vitas-M small molecule compound
{4-[(4S,7S)-7-(furan-2-yl)-3,5-dioxo-2-phenyl-2,3,4,5,6,7,8,9-octahydro-1H-pyrazolo[3,4-b]quinolin-4-yl]phenoxy}acetic acid
Catalog ID
STK335470
SMILES OC(=O)COc1ccc(cc1)[C@H]1C2=C(C[C@@H](CC2=O)c2ccco2)Nc2c1c(=O)n([nH]2)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 C28H23N3O6 MW 497.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O6/c32-21-14-17(22-7-4-12-36-22)13-20-25(21)24(16-8-10-19(11-9-16)37-15-23(33)34)26-27(29-20)30-31(28(26)35)18-5-2-1-3-6-18/h1-12,17,24,29-30H,13-15H2,(H,33,34)/t17-,24-/m0/s1InChIKey
LUAVCSJCYRIOBA-XDHUDOTRSA-NSynonyms
(4((4S7S)7(furan2yl)35dioxo2phenyl23456789octahydro1Hpyrazolo(34b)quinolin4yl)phenoxy)aceticacid
2(4((4S7S)7(furan2yl)35dioxo2phenyl146789hexahydropyrazolo(34b)quinolin4yl)phenoxy)aceticacid
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=C(C=C4)OCC(=O)O)C(=O)N(N3)C5=CC=CC=C5)C6=CC=CO6
InChI=1SC28H23N3O6c32211417(2274123622)132025(21)24(1681019(11916)371523(33)34)2627(2920)3031(28(26)35)185213618h11217242930H1315H2(H3334)t1724m0s1
MFCD13368818
OC(=O)COc1ccc(cc1)(C@H)1C2=C(C(C@@H)(CC2=O)c2ccco2)Nc2c1c(=O)n((nH)2)c1ccccc1
ZINC000012349874
ZINC12349874
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