Vitas-M small molecule compound

methyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate

Catalog ID
STK015376
SMILES COC(=O)c1ccc(cc1)NC(=S)NC(=O)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 C16H13FN2O3S MW 332.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13FN2O3S/c1-22-15(21)10-6-8-11(9-7-10)18-16(23)19-14(20)12-4-2-3-5-13(12)17/h2-9H,1H3,(H2,18,19,20,23)
InChIKey
BOXVKLXNWUWHBD-UHFFFAOYSA-N
Synonyms
428459-09-0
428459090
COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2F
COC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1F
InChI=1SC16H13FN2O3Sc12215(21)106811(9710)1816(23)1914(20)12423513(12)17h29H1H3(H218192023)
METHYL4((((2FLUOROBENZOYL)AMINO)CARBOTHIOYL)AMINO)BENZOATE
METHYL4((((2FLUOROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
METHYL4((2FLUOROBENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
MFCD02628354
STK015376
ZINC000000342117
ZINC00342117
ZINC342117

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Available files

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