Vitas-M small molecule compound

(5-ethylthiophen-3-yl)(4-methyl-1,4-diazepan-1-yl)methanone

Catalog ID
STK475697
SMILES CCc1scc(c1)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 C13H20N2OS MW 252.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20N2OS/c1-3-12-9-11(10-17-12)13(16)15-6-4-5-14(2)7-8-15/h9-10H,3-8H2,1-2H3
InChIKey
XCCONJUNSHTLQN-UHFFFAOYSA-N
Synonyms

(5ethylthiophen3yl)(4methyl14diazepan1yl)methanone
5ETHYL(3THIENYL)4METHYL(14DIAZAPERHYDROEPINYL)KETONE
CCC1=CC(=CS1)C(=O)N2CCCN(CC2)C
InChI=1SC13H20N2OSc1312911(101712)13(16)1564514(2)7815h910H38H212H3
MFCD07613006
ZINC000006726016
ZINC6726016

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Available files

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