Vitas-M small molecule compound

(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone

Catalog ID
STK476785
SMILES CCC1CCc2c(C1)cc(s2)C(=O)N1CCCN(CC1)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 C17H26N2OS MW 306.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H26N2OS/c1-3-13-5-6-15-14(11-13)12-16(21-15)17(20)19-8-4-7-18(2)9-10-19/h12-13H,3-11H2,1-2H3
InChIKey
WLLJMBWXOJWYFA-UHFFFAOYSA-N
Synonyms

(5ethyl4567tetrahydro1benzothiophen2yl)(4methyl14diazepan1yl)methanone
CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCCN(CC3)C
InChI=1SC17H26N2OSc1313561514(1113)1216(2115)17(20)1984718(2)91019h1213H311H212H3
MFCD08071475
ZINC000006726527
ZINC000006726528

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.