Vitas-M small molecule compound
2-(benzylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
Catalog ID
STK383736
SMILES C1CCN=C(NC1)SCc1ccccc1
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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 C12H16N2S MW 220.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2S/c1-2-6-11(7-3-1)10-15-12-13-8-4-5-9-14-12/h1-3,6-7H,4-5,8-10H2,(H,13,14)InChIKey
LGIDVAQVVWXFNL-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)4567tetrahydro1H13diazepine
2benzylsulfanyl4567tetrahydro1H13diazepine
C1CCN=C(NC1)SCC2=CC=CC=C2
InChI=1SC12H16N2Sc12611(731)1015121384591412h1367H45810H2(H1314)
MFCD11853229
ZINC000004545559
ZINC04545559
ZINC4545559
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