Vitas-M small molecule compound
(4R,7S)-4-(4-bromophenyl)-3-hydroxy-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333863
SMILES Brc1ccc(cc1)[C@H]1C2=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 C20H16BrN3O2S MW 442.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O2S/c21-12-5-3-10(4-6-12)16-17-13(22-19-18(16)20(26)24-23-19)8-11(9-14(17)25)15-2-1-7-27-15/h1-7,11,16H,8-9H2,(H3,22,23,24,26)/t11-,16-/m0/s1InChIKey
NOOFZWLFASXALL-ZBEGNZNMSA-NSynonyms
(4R7S)4(4bromophenyl)3hydroxy7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(4bromophenyl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
Brc1ccc(cc1)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=C(C=C4)Br)C(=O)NN3)C5=CC=CS5
InChI=1SC20H16BrN3O2Sc21125310(4612)161713(221918(16)20(26)242319)811(914(17)25)152172715h171116H89H2(H322232426)t1116m0s1
MFCD13368630
ZINC000018196415
ZINC18196415
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