Vitas-M small molecule compound
(4R,7S)-7-(3,4-dimethoxyphenyl)-3-hydroxy-4-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334723
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2cccs2)c(n[nH]1)O
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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/c1-28-15-6-5-11(10-16(15)29-2)12-8-13-18(14(26)9-12)19(17-4-3-7-30-17)20-21(23-13)24-25-22(20)27/h3-7,10,12,19H,8-9H2,1-2H3,(H3,23,24,25,27)/t12-,19-/m0/s1InChIKey
ZHOZOQWYAGXZRX-BUXKBTBVSA-NSynonyms
(4R7S)7(34dimethoxyphenyl)3hydroxy4(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7(34dimethoxyphenyl)4thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC=CS5)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2cccs2)c(n(nH)1)O
InChI=1SC22H21N3O4Sc128156511(1016(15)292)1281318(14(26)912)19(174373017)2021(2313)242522(20)27h37101219H89H212H3(H323242527)t1219m0s1
MFCD13368735
ZINC000018197301
ZINC18197301
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