Vitas-M small molecule compound
methyl 2-(2-cyano-2-thiocyanatoethyl)benzoate
Catalog ID
STK681780
SMILES N#CC(Cc1ccccc1C(=O)OC)SC#N
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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 C12H10N2O2S MW 246.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N2O2S/c1-16-12(15)11-5-3-2-4-9(11)6-10(7-13)17-8-14/h2-5,10H,6H2,1H3InChIKey
DUMLWHTUHSKNIY-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1CC(C#N)SC#N
InChI=1SC12H10N2O2Sc11612(15)1153249(11)610(713)17814h2510H6H21H3
methyl2(2cyano2thiocyanatoethyl)benzoate
MFCD03819932
ZINC000000107752
ZINC000000107754
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