Vitas-M small molecule compound
4-[(1E)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-yl]phenyl 4-bromobenzoate
Catalog ID
STK249101
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccc(cc1)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)12-14-4-10-18(11-5-14)26-20(25)15-6-8-17(22)9-7-15/h4-12H,1-3H3/b16-12+InChIKey
ZRMRBFPZLPURRI-FOWTUZBSSA-NSynonyms
892710-72-4(4((E)2cyano44dimethyl3oxopent1enyl)phenyl)4bromobenzoate
4((1E)2cyano44dimethyl3oxopent1en1yl)phenyl4bromobenzoate
892710724
CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Br)C#N
InChI=1SC21H18BrNO3c121(23)19(24)16(1323)121441018(11514)2620(25)156817(22)9715h412H13H3b1612+
MFCD04528469
N#CC(=Cc1ccc(cc1)OC(=O)c1ccc(cc1)Br)C(=O)C(C)(C)C
ZINC000009668266
ZINC09668266
ZINC9668266
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