Vitas-M small molecule compound
4-[(1E)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-yl]phenyl 3-bromobenzoate
Catalog ID
STK249104
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1cccc(c1)Br)/C(=O)C(C)(C)C
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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 C21H18BrNO3 MW 412.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO3/c1-21(2,3)19(24)16(13-23)11-14-7-9-18(10-8-14)26-20(25)15-5-4-6-17(22)12-15/h4-12H,1-3H3/b16-11+InChIKey
NACMAYSPMYVCQR-LFIBNONCSA-NSynonyms
(4((E)2cyano44dimethyl3oxopent1enyl)phenyl)3bromobenzoate
4((1E)2cyano44dimethyl3oxopent1en1yl)phenyl3bromobenzoate
CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)C#N
InChI=1SC21H18BrNO3c121(23)19(24)16(1323)11147918(10814)2620(25)1554617(22)1215h412H13H3b1611+
MFCD04550476
N#CC(=Cc1ccc(cc1)OC(=O)c1cccc(c1)Br)C(=O)C(C)(C)C
ZINC000009668269
ZINC09668269
ZINC9668269
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