Vitas-M small molecule compound

methyl 2-{[(2-chlorophenoxy)acetyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK423743
SMILES COC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CCC(C2)c1ccccc1

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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 C24H22ClNO4S MW 455.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClNO4S/c1-29-24(28)22-17-12-11-16(15-7-3-2-4-8-15)13-20(17)31-23(22)26-21(27)14-30-19-10-6-5-9-18(19)25/h2-10,16H,11-14H2,1H3,(H,26,27)
InChIKey
PQFHHYHBLYHYCY-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)COC4=CC=CC=C4Cl
InChI=1SC24H22ClNO4Sc12924(28)2217121116(157324815)1320(17)3123(22)2621(27)1430191065918(19)25h21016H1114H21H3(H2627)
methyl2(((2chlorophenoxy)acetyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
methyl2((2(2chlorophenoxy)acetyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
MFCD02176440
ZINC000002088900
ZINC000002088901

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Available files

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