Vitas-M small molecule compound
4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333837
SMILES Brc1ccc(c(c1)C1C2=C(CC(CC2=O)c2cccs2)Nc2c1c(O)n[nH]2)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 C20H16BrN3O3S MW 458.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O3S/c21-10-3-4-13(25)11(8-10)16-17-12(22-19-18(16)20(27)24-23-19)6-9(7-14(17)26)15-2-1-5-28-15/h1-5,8-9,16,25H,6-7H2,(H3,22,23,24,27)InChIKey
RHQKKUWKAAHEOV-UHFFFAOYSA-NSynonyms
4(5bromo2hydroxyphenyl)3hydroxy7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
4(5bromo2hydroxyphenyl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
Brc1ccc(c(c1)C1C2=C(CC(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2)O
C1C(CC(=O)C2=C1NC3=C(C2C4=C(C=CC(=C4)Br)O)C(=O)NN3)C5=CC=CS5
InChI=1SC20H16BrN3O3Sc21103413(25)11(810)161712(221918(16)20(27)242319)69(714(17)26)152152815h15891625H67H2(H322232427)
MFCD09963245
ZINC000018196321
ZINC000018196326
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