Vitas-M small molecule compound

4-fluorobenzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate

Catalog ID
STK546038
SMILES CCOc1ccc(cc1)N/C(=N/C#N)/SCc1ccc(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 C17H16FN3OS MW 329.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16FN3OS/c1-2-22-16-9-7-15(8-10-16)21-17(20-12-19)23-11-13-3-5-14(18)6-4-13/h3-10H,2,11H2,1H3,(H,20,21)
InChIKey
MXECZAWIPHYRDY-UHFFFAOYSA-N
Synonyms
445385-66-0
(2E)3((4ETHOXYPHENYL)AMINO)3((4FLUOROPHENYL)METHYLTHIO)2AZAPROP2ENENITRILE
(4FLUOROPHENYL)METHYLNCYANON(4ETHOXYPHENYL)CARBAMIMIDOTHIOATE
(Z)4fluorobenzylNcyanoN(4ethoxyphenyl)carbamimidothioate
445385660
4fluorobenzylNcyanoN(4ethoxyphenyl)carbamimidothioate
4FLUOROBENZYLNCYANON(4ETHOXYPHENYL)IMIDOTHIOCARBAMATE
CCOC1=CC=C(C=C1)N=C(NC#N)SCC2=CC=C(C=C2)F
CCOc1ccc(cc1)NC(=NC#N)SCc1ccc(cc1)F
InChI=1SC17H16FN3OSc1222169715(81016)2117(201219)2311133514(18)6413h310H211H21H3(H2021)
MFCD03299406
ZINC000013596941
ZINC13596941

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Available files

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