Vitas-M small molecule compound

methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Catalog ID
STK459196
SMILES COC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)CN1CCc2c(C1)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 C23H21FN2O3S MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN2O3S/c1-29-23(28)21-19(16-6-8-18(24)9-7-16)14-30-22(21)25-20(27)13-26-11-10-15-4-2-3-5-17(15)12-26/h2-9,14H,10-13H2,1H3,(H,25,27)
InChIKey
SCGPDERZAZSWMH-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CN3CCC4=CC=CC=C4C3
InChI=1SC23H21FN2O3Sc12923(28)2119(166818(24)9716)143022(21)2520(27)1326111015423517(15)1226h2914H1013H21H3(H2527)
methyl2((2(34dihydro1Hisoquinolin2yl)acetyl)amino)4(4fluorophenyl)thiophene3carboxylate
methyl2((34dihydroisoquinolin2(1H)ylacetyl)amino)4(4fluorophenyl)thiophene3carboxylate
MFCD05145938
ZINC000017093936
ZINC17093936

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Available files

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