Vitas-M small molecule compound
(4R,7S)-4-(5-bromothiophen-2-yl)-3-hydroxy-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334080
SMILES Brc1ccc(s1)C1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(O)n[nH]2
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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 C18H14BrN3O2S2 MW 448.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14BrN3O2S2/c19-13-4-3-12(26-13)15-14-9(20-17-16(15)18(24)22-21-17)6-8(7-10(14)23)11-2-1-5-25-11/h1-5,8,15H,6-7H2,(H3,20,21,22,24)/t8-,15?/m0/s1InChIKey
NAKMJODDCGYMEX-CYQMCQFNSA-NSynonyms
(4R7S)4(5bromothiophen2yl)3hydroxy7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(7S)4(5bromothiophen2yl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
Brc1ccc(s1)C1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=C(S4)Br)C(=O)NN3)C5=CC=CS5
InChI=1SC18H14BrN3O2S2c19134312(2613)15149(201716(15)18(24)222117)68(710(14)23)112152511h15815H67H2(H320212224)t815?m0s1
MFCD13368671
ZINC000012349366
ZINC000012349374
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