Vitas-M small molecule compound

methyl 5-benzyl-2-{[(4-chlorophenoxy)acetyl]amino}thiophene-3-carboxylate

Catalog ID
STK453671
SMILES COC(=O)c1cc(sc1NC(=O)COc1ccc(cc1)Cl)Cc1ccccc1

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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 C21H18ClNO4S MW 415.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO4S/c1-26-21(25)18-12-17(11-14-5-3-2-4-6-14)28-20(18)23-19(24)13-27-16-9-7-15(22)8-10-16/h2-10,12H,11,13H2,1H3,(H,23,24)
InChIKey
QWTUUHUTFUSQGN-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)Cl
InChI=1SC21H18ClNO4Sc12621(25)181217(11145324614)2820(18)2319(24)1327169715(22)81016h21012H1113H21H3(H2324)
METHYL2(2(4CHLOROPHENOXY)ACETYLAMINO)5BENZYLTHIOPHENE3CARBOXYLATE
methyl5benzyl2(((4chlorophenoxy)acetyl)amino)thiophene3carboxylate
METHYL5BENZYL2((2(4CHLOROPHENOXY)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD02608096
ZINC000002764411
ZINC02764411
ZINC2764411

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Available files

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