Vitas-M small molecule compound

4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-bromobenzoate

Catalog ID
STK576390
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1ccc(cc1)Br)/C(=O)OC

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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 C19H14BrNO5 MW 416.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrNO5/c1-24-17-10-12(9-14(11-21)18(22)25-2)3-8-16(17)26-19(23)13-4-6-15(20)7-5-13/h3-10H,1-2H3/b14-9+
InChIKey
XKKAPOHVOISKJK-NTEUORMPSA-N
Synonyms
469875-68-1
(4((E)2cyano3methoxy3oxoprop1enyl)2methoxyphenyl)4bromobenzoate
(E)4(2cyano3methoxy3oxoprop1en1yl)2methoxyphenyl4bromobenzoate
4((1E)2cyano3methoxy3oxoprop1en1yl)2methoxyphenyl4bromobenzoate
469875681
COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)C2=CC=C(C=C2)Br
InChI=1SC19H14BrNO5c124171012(914(1121)18(22)252)3816(17)2619(23)134615(20)7513h310H12H3b149+
METHYL(2E)3(4(4BROMOPHENYLCARBONYLOXY)3METHOXYPHENYL)2CYANOPROP2ENOATE
MFCD02730361
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1ccc(cc1)Br)C(=O)OC
ZINC000000951064
ZINC00951064
ZINC951064

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Available files

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