Vitas-M small molecule compound

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

Catalog ID
STK435428
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)COc1ccc(cc1)Cl)CC

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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 C20H23ClN2O5S MW 438.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O5S/c1-5-23(6-2)19(25)17-12(3)16(20(26)27-4)18(29-17)22-15(24)11-28-14-9-7-13(21)8-10-14/h7-10H,5-6,11H2,1-4H3,(H,22,24)
InChIKey
PGRRUGLDCFVYDW-UHFFFAOYSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)COC2=CC=C(C=C2)Cl)C(=O)OC)C
InChI=1SC20H23ClN2O5Sc1523(62)19(25)1712(3)16(20(26)274)18(2917)2215(24)1128149713(21)81014h710H5611H214H3(H2224)
METHYL2(((4CHLOROPHENOXY)ACETYL)AMINO)5((DIETHYLAMINO)CARBONYL)4METHYL3THIOPHENECARBOXYLATE
methyl2(((4chlorophenoxy)acetyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
METHYL2((2(4CHLOROPHENOXY)ACETYL)AMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5(NNDIETHYLCARBAMOYL)2(2(4CHLOROPHENOXY)ACETYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03377120
ZINC000000673355
ZINC00673355
ZINC673355

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Available files

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