Vitas-M small molecule compound

methyl 2-{[(4-bromophenyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STK432722
SMILES COC(=O)c1c(NC(=O)Cc2ccc(cc2)Br)sc(c1C)C

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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 C16H16BrNO3S MW 382.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrNO3S/c1-9-10(2)22-15(14(9)16(20)21-3)18-13(19)8-11-4-6-12(17)7-5-11/h4-7H,8H2,1-3H3,(H,18,19)
InChIKey
PMRUTONBMFHXQW-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=C(C=C2)Br)C
InChI=1SC16H16BrNO3Sc1910(2)2215(14(9)16(20)213)1813(19)8114612(17)7511h47H8H213H3(H1819)
METHYL2(((4BROMOPHENYL)ACETYL)AMINO)45DIMETHYL3THIOPHENECARBOXYLATE
methyl2(((4bromophenyl)acetyl)amino)45dimethylthiophene3carboxylate
METHYL2((2(4BROMOPHENYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
METHYL2(2(4BROMOPHENYL)ACETYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD02177038
ZINC000000659399
ZINC00659399
ZINC659399

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Available files

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