Vitas-M small molecule compound
(4R,7S)-4-(4-chlorophenyl)-3-hydroxy-7-(3,4,5-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334928
SMILES COc1c(OC)cc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2ccc(cc2)Cl)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 C25H24ClN3O5 MW 481.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O5/c1-32-18-10-14(11-19(33-2)23(18)34-3)13-8-16-21(17(30)9-13)20(12-4-6-15(26)7-5-12)22-24(27-16)28-29-25(22)31/h4-7,10-11,13,20H,8-9H2,1-3H3,(H3,27,28,29,31)/t13-,20-/m0/s1InChIKey
JUNQFKCTZPPEME-RBZFPXEDSA-NSynonyms
(4R7S)4(4chlorophenyl)3hydroxy7(345trimethoxyphenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(4chlorophenyl)7(345trimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC=C(C=C5)Cl)C(=O)C2
COc1c(OC)cc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2ccc(cc2)Cl)c(n(nH)1)O
InChI=1SC25H24ClN3O5c132181014(1119(332)23(18)343)1381621(17(30)913)20(124615(26)7512)2224(2716)282925(22)31h4710111320H89H213H3(H327282931)t1320m0s1
MFCD13368769
ZINC000018197802
ZINC18197802
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