Vitas-M small molecule compound

methyl 2-[(cyanoacetyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Catalog ID
STK448396
SMILES N#CCC(=O)Nc1scc(c1C(=O)OC)c1ccc(cc1)F

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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 C15H11FN2O3S MW 318.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11FN2O3S/c1-21-15(20)13-11(9-2-4-10(16)5-3-9)8-22-14(13)18-12(19)6-7-17/h2-5,8H,6H2,1H3,(H,18,19)
InChIKey
QQXCGYUHUVLFML-UHFFFAOYSA-N
Synonyms
546116-59-0
546116590
COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CC#N
InChI=1SC15H11FN2O3Sc12115(20)1311(92410(16)539)82214(13)1812(19)6717h258H6H21H3(H1819)
METHYL2((2CYANOACETYL)AMINO)4(4FLUOROPHENYL)THIOPHENE3CARBOXYLATE
methyl2((cyanoacetyl)amino)4(4fluorophenyl)thiophene3carboxylate
METHYL2(2CYANOACETAMIDO)4(4FLUOROPHENYL)THIOPHENE3CARBOXYLATE
METHYL2(2CYANOACETYLAMINO)4(4FLUOROPHENYL)THIOPHENE3CARBOXYLATE
MFCD03396396
ZINC000006126236
ZINC06126236
ZINC6126236

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Available files

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