Vitas-M small molecule compound

(2E)-5-ethoxy-2-[(octylamino)methylidene]-1-benzothiophen-3(2H)-one

Catalog ID
STL446381
SMILES CCCCCCCCN/C=C\1/Sc2c(C1=O)cc(cc2)OCC

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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 C19H27NO2S MW 333.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27NO2S/c1-3-5-6-7-8-9-12-20-14-18-19(21)16-13-15(22-4-2)10-11-17(16)23-18/h10-11,13-14,20H,3-9,12H2,1-2H3/b18-14+
InChIKey
ARLXGSSELGEFFF-NBVRZTHBSA-N
Synonyms

(2E)5ethoxy2((octylamino)methylidene)1benzothiophen3(2H)one
(2E)5ETHOXY2((OCTYLAMINO)METHYLIDENE)1BENZOTHIOPHEN3ONE
5ETHOXY2(1OCTYLAMINOMETH(E)YLIDENE)BENZO(B)THIOPHEN3ONE
CCCCCCCCNC=C1C(=O)C2=C(S1)C=CC(=C2)OCC
CCCCCCCCNC=C1Sc2c(C1=O)cc(cc2)OCC
InChI=1SC19H27NO2Sc13567891220141819(21)161315(2242)101117(16)2318h1011131420H3912H212H3b1814+
MFCD02109795
ZINC000100641732
ZINC100641732

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Available files

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