Vitas-M small molecule compound

3-methylbenzyl N'-cyano-N-(2-fluorophenyl)carbamimidothioate

Catalog ID
STK546952
SMILES N#C/N=C(/Nc1ccccc1F)\SCc1cccc(c1)C

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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 C16H14FN3S MW 299.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14FN3S/c1-12-5-4-6-13(9-12)10-21-16(19-11-18)20-15-8-3-2-7-14(15)17/h2-9H,10H2,1H3,(H,19,20)
InChIKey
NIUWJXRNRGHGAP-UHFFFAOYSA-N
Synonyms
445385-33-1
(2E)3((2FLUOROPHENYL)AMINO)3((3METHYLPHENYL)METHYLTHIO)2AZAPROP2ENENITRILE
(3METHYLPHENYL)METHYLNCYANON(2FLUOROPHENYL)CARBAMIMIDOTHIOATE
(Z)3methylbenzylNcyanoN(2fluorophenyl)carbamimidothioate
3methylbenzylNcyanoN(2fluorophenyl)carbamimidothioate
3METHYLBENZYLNCYANON(2FLUOROPHENYL)IMIDOTHIOCARBAMATE
445385331
CC1=CC(=CC=C1)CSC(=NC2=CC=CC=C2F)NC#N
InChI=1SC16H14FN3Sc11254613(912)102116(191118)2015832714(15)17h29H10H21H3(H1920)
MFCD03303974
N#CN=C(Nc1ccccc1F)SCc1cccc(c1)C
ZINC000013617734
ZINC13617734

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Available files

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