Vitas-M small molecule compound
4-(3-hydroxy-4-methoxyphenyl)-3-methyl-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK335073
SMILES COc1ccc(cc1O)C1C2=C(CC(CC2=O)c2cccs2)Nc2c1c(C)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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c1-11-19-20(12-5-6-17(28-2)15(26)9-12)21-14(23-22(19)25-24-11)8-13(10-16(21)27)18-4-3-7-29-18/h3-7,9,13,20,26H,8,10H2,1-2H3,(H2,23,24,25)InChIKey
IOPGHBKHZCAHAI-UHFFFAOYSA-NSynonyms
4(3hydroxy4methoxyphenyl)3methyl7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
4(3hydroxy4methoxyphenyl)3methyl7thiophen2yl124678hexahydropyrazolo(34b)quinolin5one
CC1=C2C(C3=C(CC(CC3=O)C4=CC=CS4)N=C2NN1)C5=CC(=C(C=C5)OC)O
COc1ccc(cc1O)C1C2=C(CC(CC2=O)c2cccs2)Nc2c1c(C)n(nH)2
InChI=1SC22H21N3O3Sc1111920(125617(282)15(26)912)2114(2322(19)252411)813(1016(21)27)184372918h379132026H810H212H3(H2232425)
MFCD09963843
ZINC000018198333
ZINC000018198339
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