Vitas-M small molecule compound
(4R,7S)-4-(3,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-3-hydroxy-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334116
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2ccc(c(c2)Cl)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 C24H21Cl2N3O4 MW 486.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21Cl2N3O4/c1-32-18-6-4-11(10-19(18)33-2)13-8-16-21(17(30)9-13)20(12-3-5-14(25)15(26)7-12)22-23(27-16)28-29-24(22)31/h3-7,10,13,20H,8-9H2,1-2H3,(H3,27,28,29,31)/t13-,20-/m0/s1InChIKey
DDMVRTUSSKKFBD-RBZFPXEDSA-NSynonyms
(4R7S)4(34dichlorophenyl)7(34dimethoxyphenyl)3hydroxy146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(34dichlorophenyl)7(34dimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC(=C(C=C5)Cl)Cl)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2ccc(c(c2)Cl)Cl)c(n(nH)1)O
InChI=1SC24H21Cl2N3O4c132186411(1019(18)332)1381621(17(30)913)20(123514(25)15(26)712)2223(2716)282924(22)31h37101320H89H212H3(H327282931)t1320m0s1
MFCD13368688
ZINC000018196956
ZINC18196956
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