Vitas-M small molecule compound
3-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STL351389
SMILES COc1ccc2c(c1)nc([nH]2)SC1CCc2c(NC1=O)cccc2
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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 C18H17N3O2S MW 339.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O2S/c1-23-12-7-8-14-15(10-12)21-18(20-14)24-16-9-6-11-4-2-3-5-13(11)19-17(16)22/h2-5,7-8,10,16H,6,9H2,1H3,(H,19,22)(H,20,21)InChIKey
REXRVDKUUJIJTL-UHFFFAOYSA-NSynonyms
1040697-27-53((5methoxy1Hbenzimidazol2yl)sulfanyl)1345tetrahydro2H1benzazepin2one
3((5methoxy1Hbenzo(d)imidazol2yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
3((6methoxy1Hbenzimidazol2yl)sulfanyl)1345tetrahydro1benzazepin2one
COC1=CC2=C(C=C1)N=C(N2)SC3CCC4=CC=CC=C4NC3=O
COc1ccc2c(c1)nc((nH)2)SC1CCc2c(NC1=O)cccc2
InChI=1SC18H17N3O2Sc12312781415(1012)2118(2014)24169611423513(11)1917(16)22h25781016H69H21H3(H1922)(H2021)
MFCD12205237
ZINC000020714530
ZINC000020714534
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