Vitas-M small molecule compound
(4R,7S)-7-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-hydroxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334423
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2ccc(cc2)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 C24H23N3O5 MW 433.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O5/c1-31-18-8-5-13(11-19(18)32-2)14-9-16-21(17(29)10-14)20(12-3-6-15(28)7-4-12)22-23(25-16)26-27-24(22)30/h3-8,11,14,20,28H,9-10H2,1-2H3,(H3,25,26,27,30)/t14-,20-/m0/s1InChIKey
SNWQMLMSNYJCKE-XOBRGWDASA-NSynonyms
(4R7S)7(34dimethoxyphenyl)3hydroxy4(4hydroxyphenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7(34dimethoxyphenyl)4(4hydroxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC=C(C=C5)O)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2ccc(cc2)O)c(n(nH)1)O
InChI=1SC24H23N3O5c131188513(1119(18)322)1491621(17(29)1014)20(123615(28)7412)2223(2516)262724(22)30h3811142028H910H212H3(H325262730)t1420m0s1
MFCD13368708
ZINC000018197094
ZINC18197094
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