Vitas-M small molecule compound

ethyl 2-{[(4-fluoronaphthalen-1-yl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK664964
SMILES CCOC(=O)c1c(sc2c1CCCC2)NS(=O)(=O)c1ccc(c2c1cccc2)F

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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 C21H20FNO4S2 MW 433.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FNO4S2/c1-2-27-21(24)19-15-9-5-6-10-17(15)28-20(19)23-29(25,26)18-12-11-16(22)13-7-3-4-8-14(13)18/h3-4,7-8,11-12,23H,2,5-6,9-10H2,1H3
InChIKey
VATYWSSBHYTSBJ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=C(C4=CC=CC=C43)F
ethyl2(((4fluoronaphthalen1yl)sulfonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4fluoronaphthalen1yl)sulfonylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H20FNO4S2c122721(24)19159561017(15)2820(19)2329(2526)18121116(22)13734814(13)18h3478111223H256910H21H3
MFCD07658330
ZINC000012413903
ZINC12413903

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Available files

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