Vitas-M small molecule compound
(4R,7S)-3-hydroxy-4-(4-methoxyphenyl)-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333909
SMILES COc1ccc(cc1)[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 C21H19N3O3S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S/c1-27-13-6-4-11(5-7-13)17-18-14(22-20-19(17)21(26)24-23-20)9-12(10-15(18)25)16-3-2-8-28-16/h2-8,12,17H,9-10H2,1H3,(H3,22,23,24,26)/t12-,17-/m0/s1InChIKey
SNHNUUQBMVGOIU-SJCJKPOMSA-NSynonyms
(4R7S)3hydroxy4(4methoxyphenyl)7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(4methoxyphenyl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)NN5
COc1ccc(cc1)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2
InChI=1SC21H19N3O3Sc127136411(5713)171814(222019(17)21(26)242320)912(1015(18)25)163282816h281217H910H21H3(H322232426)t1217m0s1
MFCD13368645
ZINC000018196479
ZINC18196479
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