Vitas-M small molecule compound

3-methyl-4-[3-(prop-2-yn-1-yloxy)phenyl]-1-(9H-purin-6-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol

Catalog ID
STK659298
SMILES C#CCOc1cccc(c1)C1SCC(=Nc2c1c(C)nn2c1ncnc2c1nc[nH]2)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 C21H17N7O2S MW 431.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N7O2S/c1-3-7-30-14-6-4-5-13(8-14)18-16-12(2)27-28(20(16)26-15(29)9-31-18)21-17-19(23-10-22-17)24-11-25-21/h1,4-6,8,10-11,18H,7,9H2,2H3,(H,26,29)(H,22,23,24,25)
InChIKey
LNPALUHALOTUGM-UHFFFAOYSA-N
Synonyms
1144449-01-3
1144449013
3methyl4(3(prop2yn1yloxy)phenyl)1(9Hpurin6yl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
C#CCOc1cccc(c1)C1SCC(=Nc2c1c(C)nn2c1ncnc2c1nc(nH)2)O
MFCD18168669
ZINC000031807500

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Available files

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