Vitas-M small molecule compound

methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate

Catalog ID
STK116273
SMILES COC(=O)c1cccc(c1)NC(=S)N1CCN(CC1)c1ccccc1F

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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 C19H20FN3O2S MW 373.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20FN3O2S/c1-25-18(24)14-5-4-6-15(13-14)21-19(26)23-11-9-22(10-12-23)17-8-3-2-7-16(17)20/h2-8,13H,9-12H2,1H3,(H,21,26)
InChIKey
BGZMPDHFGINASI-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3F
InChI=1SC19H20FN3O2Sc12518(24)1454615(1314)2119(26)2311922(101223)17832716(17)20h2813H912H21H3(H2126)
METHYL3(((4(2FLUOROPHENYL)1PIPERAZINYL)CARBONOTHIOYL)AMINO)BENZOATE
METHYL3(((4(2FLUOROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)AMINO)BENZOATE
METHYL3(((4(2FLUOROPHENYL)PIPERAZIN1YL)CARBOTHIOYL)AMINO)BENZOATE
METHYL3((4(2FLUOROPHENYL)PIPERAZINE1CARBOTHIOYL)AMINO)BENZOATE
MFCD04128065
ZINC000002846494
ZINC02846494
ZINC2846494

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Available files

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