Vitas-M small molecule compound
(4R,7S)-4-(2,3-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-3-hydroxy-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334115
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2cccc(c2Cl)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/c1-32-17-7-6-11(10-18(17)33-2)12-8-15-20(16(30)9-12)19(13-4-3-5-14(25)22(13)26)21-23(27-15)28-29-24(21)31/h3-7,10,12,19H,8-9H2,1-2H3,(H3,27,28,29,31)/t12-,19-/m0/s1InChIKey
MQEHMFYPBTZGAV-BUXKBTBVSA-NSynonyms
(4R7S)4(23dichlorophenyl)7(34dimethoxyphenyl)3hydroxy146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(23dichlorophenyl)7(34dimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=C(C(=CC=C5)Cl)Cl)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2cccc(c2Cl)Cl)c(n(nH)1)O
InChI=1SC24H21Cl2N3O4c132177611(1018(17)332)1281520(16(30)912)19(1343514(25)22(13)26)2123(2715)282924(21)31h37101219H89H212H3(H327282931)t1219m0s1
MFCD13368687
ZINC000018196954
ZINC18196954
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