Vitas-M small molecule compound

methyl 2-{[(5-bromofuran-2-yl)carbonyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

Catalog ID
STK435430
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)c1ccc(o1)Br)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 C17H19BrN2O5S MW 443.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrN2O5S/c1-5-20(6-2)16(22)13-9(3)12(17(23)24-4)15(26-13)19-14(21)10-7-8-11(18)25-10/h7-8H,5-6H2,1-4H3,(H,19,21)
InChIKey
PVVHOJPBFUUJAQ-UHFFFAOYSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)Br)C(=O)OC)C
InChI=1SC17H19BrN2O5Sc1520(62)16(22)139(3)12(17(23)244)15(2613)1914(21)107811(18)2510h78H56H214H3(H1921)
methyl2(((5bromofuran2yl)carbonyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
METHYL2((5BROMO2FUROYL)AMINO)5((DIETHYLAMINO)CARBONYL)4METHYL3THIOPHENECARBOXYLATE
METHYL2((5BROMOFURAN2CARBONYL)AMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5(NNDIETHYLCARBAMOYL)2((5BROMO(2FURYL))CARBONYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03385788
ZINC000001117276
ZINC01117276
ZINC1117276

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Available files

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