Vitas-M small molecule compound
(4R,7S)-4-(3-bromophenyl)-7-(3,4-dimethoxyphenyl)-3-hydroxy-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334840
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2cccc(c2)Br)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 C24H22BrN3O4 MW 496.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN3O4/c1-31-18-7-6-12(11-19(18)32-2)14-9-16-21(17(29)10-14)20(13-4-3-5-15(25)8-13)22-23(26-16)27-28-24(22)30/h3-8,11,14,20H,9-10H2,1-2H3,(H3,26,27,28,30)/t14-,20-/m0/s1InChIKey
JZEWJMXUWDHCOO-XOBRGWDASA-NSynonyms
(4R7S)4(3bromophenyl)7(34dimethoxyphenyl)3hydroxy146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(3bromophenyl)7(34dimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC(=CC=C5)Br)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2cccc(c2)Br)c(n(nH)1)O
InChI=1SC24H22BrN3O4c131187612(1119(18)322)1491621(17(29)1014)20(1343515(25)813)2223(2616)272824(22)30h38111420H910H212H3(H326272830)t1420m0s1
MFCD13368759
ZINC000018197680
ZINC18197680
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