Vitas-M small molecule compound
4-[(1E)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-yl]phenyl 2-bromobenzoate
Catalog ID
STK130336
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccccc1Br)/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)15(13-23)12-14-8-10-16(11-9-14)26-20(25)17-6-4-5-7-18(17)22/h4-12H,1-3H3/b15-12+InChIKey
AFDGOXJPOROJFS-NTCAYCPXSA-NSynonyms
(4((E)2CYANO44DIMETHYL3OXOPENT1ENYL)PHENYL)2BROMOBENZOATE
4((1E)2CYANO44DIMETHYL3OXOPENT1EN1YL)PHENYL2BROMOBENZOATE
CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br)C#N
InChI=1SC21H18BrNO3c121(23)19(24)15(1323)121481016(11914)2620(25)17645718(17)22h412H13H3b1512+
MFCD04506618
N#CC(=Cc1ccc(cc1)OC(=O)c1ccccc1Br)C(=O)C(C)(C)C
ZINC000004700777
ZINC04700777
ZINC4700777
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