Vitas-M small molecule compound
(4R,7S)-3-hydroxy-4-(5-nitrofuran-2-yl)-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333922
SMILES O=C1C[C@H](CC2=C1[C@H](c1ccc(o1)[N+](=O)[O-])c1c(N2)[nH]nc1O)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 C18H14N4O5S MW 398.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O5S/c23-10-7-8(12-2-1-5-28-12)6-9-14(10)15(11-3-4-13(27-11)22(25)26)16-17(19-9)20-21-18(16)24/h1-5,8,15H,6-7H2,(H3,19,20,21,24)/t8-,15-/m0/s1InChIKey
UCTMUULEFNWDJP-AYVTZFPOSA-NSynonyms
(4R7S)3hydroxy4(5nitrofuran2yl)7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(5nitrofuran2yl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=C(O4)(N+)(=O)(O))C(=O)NN3)C5=CC=CS5
InChI=1SC18H14N4O5Sc231078(122152812)6914(10)15(113413(2711)22(25)26)1617(199)202118(16)24h15815H67H2(H319202124)t815m0s1
MFCD13368658
O=C1C(C@H)(CC2=C1(C@H)(c1ccc(o1)(N+)(=O)(O))c1c(N2)(nH)nc1O)c1cccs1
ZINC000018196499
ZINC18196499
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