Vitas-M small molecule compound
3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate
Catalog ID
STK547414
SMILES C=CCN/C(=N/C#N)/SCc1cccc(c1)Br
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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 C12H12BrN3S MW 310.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12BrN3S/c1-2-6-15-12(16-9-14)17-8-10-4-3-5-11(13)7-10/h2-5,7H,1,6,8H2,(H,15,16)InChIKey
UYKRCUHXXGVKJG-UHFFFAOYSA-NSynonyms
445385-75-1(3BROMOPHENYL)METHYLNCYANONPROP2ENYLCARBAMIMIDOTHIOATE
(Z)3bromobenzylNallylNcyanocarbamimidothioate
3bromobenzylNcyanoNprop2en1ylcarbamimidothioate
445385751
C=CCN=C(NC#N)SCC1=CC(=CC=C1)Br
C=CCNC(=NC#N)SCc1cccc(c1)Br
InChI=1SC12H12BrN3Sc1261512(16914)1781043511(13)710h257H168H2(H1516)
MFCD03294063
ZINC000002119325
ZINC02119325
ZINC2119325
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