Vitas-M small molecule compound
(4R,7S)-4-(2,3-dimethoxyphenyl)-3-hydroxy-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333938
SMILES COc1cccc(c1OC)[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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-28-15-6-3-5-12(20(15)29-2)17-18-13(23-21-19(17)22(27)25-24-21)9-11(10-14(18)26)16-7-4-8-30-16/h3-8,11,17H,9-10H2,1-2H3,(H3,23,24,25,27)/t11-,17-/m0/s1InChIKey
CVRQVBQFFDGSPV-GTNSWQLSSA-NSynonyms
(4R7S)4(23dimethoxyphenyl)3hydroxy7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(23dimethoxyphenyl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=CC=CC(=C1OC)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)NN5
COc1cccc(c1OC)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2
InChI=1SC22H21N3O4Sc1281563512(20(15)292)171813(232119(17)22(27)252421)911(1014(18)26)167483016h381117H910H212H3(H323242527)t1117m0s1
MFCD13368659
ZINC000018196515
ZINC18196515
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