Vitas-M small molecule compound
3-(2,2-dicyanoethenyl)phenyl 4-tert-butylbenzoate
Catalog ID
STK134039
SMILES N#CC(=Cc1cccc(c1)OC(=O)c1ccc(cc1)C(C)(C)C)C#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 C21H18N2O2 MW 330.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O2/c1-21(2,3)18-9-7-17(8-10-18)20(24)25-19-6-4-5-15(12-19)11-16(13-22)14-23/h4-12H,1-3H3InChIKey
CRCKSRUSCRSNIN-UHFFFAOYSA-NSynonyms
(3(22DICYANOETHENYL)PHENYL)4TERTBUTYLBENZOATE
3(22DICYANOETHENYL)PHENYL4TERTBUTYLBENZOATE
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C#N
InChI=1SC21H18N2O2c121(23)189717(81018)20(24)251964515(1219)1116(1322)1423h412H13H3
MFCD04494839
ZINC000004680850
ZINC04680850
ZINC4680850
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