Vitas-M small molecule compound
(4R,7S)-3-hydroxy-4-(pyridin-4-yl)-7-(3,4,5-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK335295
SMILES COc1c(OC)cc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2ccncc2)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 C24H24N4O5 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O5/c1-31-17-10-14(11-18(32-2)22(17)33-3)13-8-15-20(16(29)9-13)19(12-4-6-25-7-5-12)21-23(26-15)27-28-24(21)30/h4-7,10-11,13,19H,8-9H2,1-3H3,(H3,26,27,28,30)/t13-,19-/m0/s1InChIKey
QGNRJRTYUAOBNI-DJJJIMSYSA-NSynonyms
(4R7S)3hydroxy4(pyridin4yl)7(345trimethoxyphenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4pyridin4yl7(345trimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC=NC=C5)C(=O)C2
COc1c(OC)cc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2ccncc2)c(n(nH)1)O
InChI=1SC24H24N4O5c131171014(1118(322)22(17)333)1381520(16(29)913)19(1246257512)2123(2615)272824(21)30h4710111319H89H213H3(H326272830)t1319m0s1
MFCD13368803
ZINC000018198583
ZINC18198583
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