Vitas-M small molecule compound
(4R,7S)-4-(1,3-benzodioxol-5-yl)-3-hydroxy-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333906
SMILES O=C1C[C@H](CC2=C1[C@H](c1ccc3c(c1)OCO3)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 C21H17N3O4S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S/c25-13-7-11(16-2-1-5-29-16)6-12-18(13)17(19-20(22-12)23-24-21(19)26)10-3-4-14-15(8-10)28-9-27-14/h1-5,8,11,17H,6-7,9H2,(H3,22,23,24,26)/t11-,17-/m0/s1InChIKey
BOYVOTHHSWVYHS-GTNSWQLSSA-NSynonyms
(4R7S)4(13benzodioxol5yl)3hydroxy7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(13benzodioxol5yl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
C1C(CC(=O)C2=C1NC3=C(C2C4=CC5=C(C=C4)OCO5)C(=O)NN3)C6=CC=CS6
InChI=1SC21H17N3O4Sc2513711(162152916)61218(13)17(1920(2212)232421(19)26)10341415(810)2892714h1581117H679H2(H322232426)t1117m0s1
MFCD13368642
O=C1C(C@H)(CC2=C1(C@H)(c1ccc3c(c1)OCO3)c1c(N2)(nH)nc1O)c1cccs1
ZINC000018196475
ZINC18196475
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