Vitas-M small molecule compound
(4R,7S)-4-(5-bromothiophen-2-yl)-7-(3,4-dimethoxyphenyl)-3-hydroxy-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334724
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2ccc(s2)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 C22H20BrN3O4S MW 502.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O4S/c1-29-14-4-3-10(9-15(14)30-2)11-7-12-18(13(27)8-11)19(16-5-6-17(23)31-16)20-21(24-12)25-26-22(20)28/h3-6,9,11,19H,7-8H2,1-2H3,(H3,24,25,26,28)/t11-,19-/m0/s1InChIKey
ZLSGQPUNJIQDIP-WLRWDXFRSA-NSynonyms
(4R7S)4(5bromothiophen2yl)7(34dimethoxyphenyl)3hydroxy146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(5bromothiophen2yl)7(34dimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC=C(S5)Br)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2ccc(s2)Br)c(n(nH)1)O
InChI=1SC22H20BrN3O4Sc129144310(915(14)302)1171218(13(27)811)19(165617(23)3116)2021(2412)252622(20)28h3691119H78H212H3(H324252628)t1119m0s1
MFCD13368736
ZINC000012349563
ZINC12349563
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