Vitas-M small molecule compound

methyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-(4-fluorophenyl)thiophene-3-carboxylate

Catalog ID
STK451194
SMILES COC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)C1(C)CC1(Br)Br

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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 C17H14Br2FNO3S MW 491.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14Br2FNO3S/c1-16(8-17(16,18)19)15(23)21-13-12(14(22)24-2)11(7-25-13)9-3-5-10(20)6-4-9/h3-7H,8H2,1-2H3,(H,21,23)
InChIKey
BLFHBQKJLYEYNH-UHFFFAOYSA-N
Synonyms

CC1(CC1(Br)Br)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC
InChI=1SC17H14Br2FNO3Sc116(817(1618)19)15(23)211312(14(22)242)11(72513)93510(20)649h37H8H212H3(H2123)
methyl2(((22dibromo1methylcyclopropyl)carbonyl)amino)4(4fluorophenyl)thiophene3carboxylate
methyl2((22dibromo1methylcyclopropanecarbonyl)amino)4(4fluorophenyl)thiophene3carboxylate
METHYL2((22DIBROMO1METHYLCYCLOPROPYL)CARBONYLAMINO)4(4FLUOROPHENYL)THIOPHENE3CARBOXYLATE
MFCD03071545
ZINC000002761578
ZINC000002761579

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Available files

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