Vitas-M small molecule compound
(4R,7S)-4-(2,4-dichlorophenyl)-3-hydroxy-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333859
SMILES Clc1ccc(c(c1)Cl)[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 C20H15Cl2N3O2S MW 432.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15Cl2N3O2S/c21-10-3-4-11(12(22)8-10)16-17-13(23-19-18(16)20(27)25-24-19)6-9(7-14(17)26)15-2-1-5-28-15/h1-5,8-9,16H,6-7H2,(H3,23,24,25,27)/t9-,16-/m0/s1InChIKey
OSLRUHKYCJWBAF-FVMDXXJSSA-NSynonyms
(4R7S)4(24dichlorophenyl)3hydroxy7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(24dichlorophenyl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
C1C(CC(=O)C2=C1NC3=C(C2C4=C(C=C(C=C4)Cl)Cl)C(=O)NN3)C5=CC=CS5
Clc1ccc(c(c1)Cl)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2
InChI=1SC20H15Cl2N3O2Sc21103411(12(22)810)161713(231918(16)20(27)252419)69(714(17)26)152152815h158916H67H2(H323242527)t916m0s1
MFCD13368626
ZINC000018196408
ZINC18196408
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