Vitas-M small molecule compound
(4R,7S)-3-hydroxy-4-(4-nitrophenyl)-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333860
SMILES O=C1C[C@H](CC2=C1[C@H](c1ccc(cc1)[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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c25-14-9-11(15-2-1-7-29-15)8-13-17(14)16(18-19(21-13)22-23-20(18)26)10-3-5-12(6-4-10)24(27)28/h1-7,11,16H,8-9H2,(H3,21,22,23,26)/t11-,16-/m0/s1InChIKey
OACDQSQHAGQEEO-ZBEGNZNMSA-NSynonyms
(4R7S)3hydroxy4(4nitrophenyl)7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(4nitrophenyl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=C(C=C4)(N+)(=O)(O))C(=O)NN3)C5=CC=CS5
InChI=1SC20H16N4O4Sc2514911(152172915)81317(14)16(1819(2113)222320(18)26)103512(6410)24(27)28h171116H89H2(H321222326)t1116m0s1
MFCD13368627
O=C1C(C@H)(CC2=C1(C@H)(c1ccc(cc1)(N+)(=O)(O))c1c(N2)(nH)nc1O)c1cccs1
ZINC000018196410
ZINC18196410
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