Vitas-M small molecule compound
4-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-methyl-1-(9H-purin-6-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Catalog ID
STL247942
SMILES OC1=Nc2c(C(C1)c1c(C)nn(c1C)C1CCS(=O)(=O)C1)c(nn2c1ncnc2c1nc[nH]2)C
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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 C21H23N9O3S MW 481.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N9O3S/c1-10-16(12(3)29(27-10)13-4-5-34(32,33)7-13)14-6-15(31)26-20-17(14)11(2)28-30(20)21-18-19(23-8-22-18)24-9-25-21/h8-9,13-14H,4-7H2,1-3H3,(H,26,31)(H,22,23,24,25)InChIKey
IQAVIAUJQDZXTH-UHFFFAOYSA-NSynonyms
1374526-93-81374526938
4(1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)3methyl1(9Hpurin6yl)45dihydro1Hpyrazolo(34b)pyridin6ol
MFCD24861048
OC1=Nc2c(C(C1)c1c(C)nn(c1C)C1CCS(=O)(=O)C1)c(nn2c1ncnc2c1nc(nH)2)C
ZINC000072403236
ZINC000072403239
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