Vitas-M small molecule compound
(4R,7S)-3-hydroxy-4-(6-nitro-1,3-benzodioxol-5-yl)-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333904
SMILES O=C1C[C@H](CC2=C1[C@H](c1cc3OCOc3cc1[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 C21H16N4O6S MW 452.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O6S/c26-13-5-9(16-2-1-3-32-16)4-11-18(13)17(19-20(22-11)23-24-21(19)27)10-6-14-15(31-8-30-14)7-12(10)25(28)29/h1-3,6-7,9,17H,4-5,8H2,(H3,22,23,24,27)/t9-,17-/m0/s1InChIKey
ZQWIOHIHFLJWLB-XYZCENFISA-NSynonyms
(4R7S)3hydroxy4(6nitro13benzodioxol5yl)7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(6nitro13benzodioxol5yl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
C1C(CC(=O)C2=C1NC3=C(C2C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)NN3)C6=CC=CS6
InChI=1SC21H16N4O6Sc261359(162133216)41118(13)17(1920(2211)232421(19)27)1061415(3183014)712(10)25(28)29h1367917H458H2(H322232427)t917m0s1
MFCD13368640
O=C1C(C@H)(CC2=C1(C@H)(c1cc3OCOc3cc1(N+)(=O)(O))c1c(N2)(nH)nc1O)c1cccs1
ZINC000018196471
ZINC18196471
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