Vitas-M small molecule compound

methyl 4-(4-bromophenyl)-2-[(3-methylbutanoyl)amino]thiophene-3-carboxylate

Catalog ID
STK440633
SMILES COC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)CC(C)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 C17H18BrNO3S MW 396.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrNO3S/c1-10(2)8-14(20)19-16-15(17(21)22-3)13(9-23-16)11-4-6-12(18)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,19,20)
InChIKey
YCQDAVBCZNMHCN-UHFFFAOYSA-N
Synonyms

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OC
InChI=1SC17H18BrNO3Sc110(2)814(20)191615(17(21)223)13(92316)114612(18)7511h47910H8H213H3(H1920)
methyl4(4bromophenyl)2((3methylbutanoyl)amino)thiophene3carboxylate
METHYL4(4BROMOPHENYL)2(3METHYLBUTANOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD03390600
ZINC000002751654
ZINC02751654
ZINC2751654

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Available files

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