Vitas-M small molecule compound
3-(9H-purin-6-ylsulfanyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STK652239
SMILES O=C1Nc2ccccc2CCC1Sc1ncnc2c1nc[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 C15H13N5OS MW 311.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N5OS/c21-14-11(6-5-9-3-1-2-4-10(9)20-14)22-15-12-13(17-7-16-12)18-8-19-15/h1-4,7-8,11H,5-6H2,(H,20,21)(H,16,17,18,19)InChIKey
CJUOHORNBIXNBG-UHFFFAOYSA-NSynonyms
1040712-16-01040712160
3((9Hpurin6yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
3(7Hpurin6ylsulfanyl)1345tetrahydro1benzazepin2one
3(9Hpurin6ylsulfanyl)1345tetrahydro2H1benzazepin2one
C1CC2=CC=CC=C2NC(=O)C1SC3=NC=NC4=C3NC=N4
InChI=1SC15H13N5OSc211411(659312410(9)2014)22151213(1771612)1881915h147811H56H2(H2021)(H16171819)
MFCD12213988
O=C1Nc2ccccc2CCC1Sc1ncnc2c1nc(nH)2
ZINC000031808860
ZINC000031808865
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