Vitas-M small molecule compound
4-[(1E)-2-cyano-3-oxo-3-phenylprop-1-en-1-yl]phenyl 4-tert-butylbenzoate
Catalog ID
STK067999
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)C)/C(=O)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 C27H23NO3 MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO3/c1-27(2,3)23-13-11-21(12-14-23)26(30)31-24-15-9-19(10-16-24)17-22(18-28)25(29)20-7-5-4-6-8-20/h4-17H,1-3H3/b22-17+InChIKey
AKFCZISWGHHBIV-OQKWZONESA-NSynonyms
(4((E)2CYANO3OXO3PHENYLPROP1ENYL)PHENYL)4TERTBUTYLBENZOATE
4((1E)2CYANO3OXO3PHENYLPROP1EN1YL)PHENYL4TERTBUTYLBENZOATE
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)C3=CC=CC=C3
InChI=1SC27H23NO3c127(23)23131121(121423)26(30)312415919(101624)1722(1828)25(29)207546820h417H13H3b2217+
MFCD02193215
N#CC(=Cc1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)C)C(=O)c1ccccc1
STK067999
ZINC000004598996
ZINC04598996
ZINC4598996
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