Vitas-M small molecule compound
(4R,7S)-3-hydroxy-7-(thiophen-2-yl)-4-[2-(trifluoromethyl)phenyl]-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333905
SMILES O=C1C[C@H](CC2=C1[C@@H](c1c(N2)[nH]nc1O)c1ccccc1C(F)(F)F)c1cccs1
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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 C21H16F3N3O2S MW 431.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F3N3O2S/c22-21(23,24)12-5-2-1-4-11(12)16-17-13(25-19-18(16)20(29)27-26-19)8-10(9-14(17)28)15-6-3-7-30-15/h1-7,10,16H,8-9H2,(H3,25,26,27,29)/t10-,16-/m0/s1InChIKey
BBUZLNIRBWJHPO-QFYYESIMSA-NSynonyms
(4R7S)3hydroxy7(thiophen2yl)4(2(trifluoromethyl)phenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7thiophen2yl4(2(trifluoromethyl)phenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=CC=C4C(F)(F)F)C(=O)NN3)C5=CC=CS5
InChI=1SC21H16F3N3O2Sc2221(2324)12521411(12)161713(251918(16)20(29)272619)810(914(17)28)156373015h171016H89H2(H325262729)t1016m0s1
MFCD13368641
O=C1C(C@H)(CC2=C1(C@@H)(c1c(N2)(nH)nc1O)c1ccccc1C(F)(F)F)c1cccs1
ZINC000018196474
ZINC18196474
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