Vitas-M small molecule compound
ethyl 3,3,4,4-tetracyano-5-phenyl-6,8-dithiabicyclo[3.2.1]octane-2-carboxylate
Catalog ID
STK329383
SMILES CCOC(=O)C1C2CSC(S2)(C(C1(C#N)C#N)(C#N)C#N)c1ccccc1
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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 C19H14N4O2S2 MW 394.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O2S2/c1-2-25-16(24)15-14-8-26-19(27-14,13-6-4-3-5-7-13)18(11-22,12-23)17(15,9-20)10-21/h3-7,14-15H,2,8H2,1H3InChIKey
YKWJBGCAZVAFJG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C2CSC(S2)(C(C1(C#N)C#N)(C#N)C#N)C3=CC=CC=C3
ethyl3344tetracyano5phenyl68dithiabicyclo(321)octane2carboxylate
InChI=1SC19H14N4O2S2c122516(24)151482619(2714136435713)18(11221223)17(15920)1021h371415H28H21H3
MFCD09961873
ZINC000101733806
ZINC000101733809
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