Vitas-M small molecule compound
4-(5-bromothiophen-2-yl)-3-hydroxy-7,7-dimethyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333312
SMILES Brc1ccc(s1)C1C2=C(Nc3c1c(O)n[nH]3)CC(CC2=O)(C)C
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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 C16H16BrN3O2S MW 394.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrN3O2S/c1-16(2)5-7-11(8(21)6-16)12(9-3-4-10(17)23-9)13-14(18-7)19-20-15(13)22/h3-4,12H,5-6H2,1-2H3,(H3,18,19,20,22)InChIKey
MVPKHLRITSCELW-UHFFFAOYSA-NSynonyms
4(5bromothiophen2yl)3hydroxy77dimethyl146789hexahydro5Hpyrazolo(34b)quinolin5one
4(5bromothiophen2yl)77dimethyl124689hexahydropyrazolo(34b)quinoline35dione
Brc1ccc(s1)C1C2=C(Nc3c1c(O)n(nH)3)CC(CC2=O)(C)C
CC1(CC2=C(C(C3=C(N2)NNC3=O)C4=CC=C(S4)Br)C(=O)C1)C
InChI=1SC16H16BrN3O2Sc116(2)5711(8(21)616)12(93410(17)239)1314(187)192015(13)22h3412H56H212H3(H318192022)
MFCD09962971
ZINC000012348085
ZINC000012348092
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