Vitas-M small molecule compound

2-{[(2-fluorophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Catalog ID
STK535507
SMILES Fc1ccccc1C(=O)Nc1sc2c(c1C(=O)O)CCCC2

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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 C16H14FNO3S MW 319.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14FNO3S/c17-11-7-3-1-5-9(11)14(19)18-15-13(16(20)21)10-6-2-4-8-12(10)22-15/h1,3,5,7H,2,4,6,8H2,(H,18,19)(H,20,21)
InChIKey
BEBKZRVTISOKIU-UHFFFAOYSA-N
Synonyms
304685-78-7
2(((2fluorophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
2((2fluorobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
2(2fluorobenzamido)4567tetrahydrobenzo(b)thiophene3carboxylicacid
304685787
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3F)C(=O)O
InChI=1SC16H14FNO3Sc171173159(11)14(19)181513(16(20)21)10624812(10)2215h1357H2468H2(H1819)(H2021)
MFCD01464821
ZINC000002574781
ZINC2574781

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Available files

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