Vitas-M small molecule compound

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

Catalog ID
STK831690
SMILES COC(=O)c1ccc(cc1)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)14-6-8-15(9-7-14)21-19(26)23-12-10-22(11-13-23)17-5-3-2-4-16(17)20/h2-9H,10-13H2,1H3,(H,21,26)
InChIKey
FASZOQMVTNDYIB-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3F
InChI=1SC19H20FN3O2Sc12518(24)146815(9714)2119(26)23121022(111323)17532416(17)20h29H1013H21H3(H2126)
methyl4(((4(2fluorophenyl)piperazin1yl)carbonothioyl)amino)benzoate
METHYL4(((4(2FLUOROPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)BENZOATE
METHYL4((4(2FLUOROPHENYL)PIPERAZINE1CARBOTHIOYL)AMINO)BENZOATE
MFCD03124234
ZINC000000784648
ZINC00784648
ZINC784648

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Available files

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