Vitas-M small molecule compound

azepan-1-yl(4-bromo-5-ethylthiophen-2-yl)methanone

Catalog ID
STK436264
SMILES CCc1sc(cc1Br)C(=O)N1CCCCCC1

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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 C13H18BrNOS MW 316.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18BrNOS/c1-2-11-10(14)9-12(17-11)13(16)15-7-5-3-4-6-8-15/h9H,2-8H2,1H3
InChIKey
LJBAHBNKOOPUMH-UHFFFAOYSA-N
Synonyms

AZAPERHYDROEPINYL4BROMO5ETHYL(2THIENYL)KETONE
azepan1yl(4bromo5ethylthiophen2yl)methanone
CCC1=C(C=C(S1)C(=O)N2CCCCCC2)Br
InChI=1SC13H18BrNOSc121110(14)912(1711)13(16)1575346815h9H28H21H3
MFCD03943776
ZINC000006708163
ZINC06708163
ZINC6708163

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Available files

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