Vitas-M small molecule compound
(4R,7S)-3-hydroxy-4-(3-methylthiophen-2-yl)-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333857
SMILES O=C1C[C@H](CC2=C1[C@H](c1sccc1C)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 C19H17N3O2S2 MW 383.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O2S2/c1-9-4-6-26-17(9)15-14-11(20-18-16(15)19(24)22-21-18)7-10(8-12(14)23)13-3-2-5-25-13/h2-6,10,15H,7-8H2,1H3,(H3,20,21,22,24)/t10-,15-/m0/s1InChIKey
VHTQGOOWRGHMOL-BONVTDFDSA-NSynonyms
(4R7S)3hydroxy4(3methylthiophen2yl)7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(3methylthiophen2yl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
CC1=C(SC=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)NN5
InChI=1SC19H17N3O2S2c19462617(9)151411(201816(15)19(24)222118)710(812(14)23)133252513h261015H78H21H3(H320212224)t1015m0s1
MFCD13368624
O=C1C(C@H)(CC2=C1(C@H)(c1sccc1C)c1c(N2)(nH)nc1O)c1cccs1
ZINC000018196404
ZINC18196404
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